N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide

C54H66N12O12S6 — CID 158881495

IUPACN-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide
SMILESCSc1nc2c(S(=O)(=O)NC3CCCC3)cc(-c3c(C)noc3C)cc2[nH]1.Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(S(C)(=O)=O)[nH]c2c1.Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(S(C)=O)[nH]c2c1
InChIInChI=1S/C18H22N4O5S2.C18H22N4O4S2.C18H22N4O3S2/c1-10-16(11(2)27-21-10)12-8-14-17(20-18(19-14)28(3,23)24)15(9-12)29(25,26)22-13-6-4-5-7-13;1-10-16(11(2)26-21-10)12-8-14-17(20-18(19-14)27(3)23)15(9-12)28(24,25)22-13-6-4-5-7-13;1-10-16(11(2)25-21-10)12-8-14-17(20-18(19-14)26-3)15(9-12)27(23,24)22-13-6-4-5-7-13/h8-9,13,22H,4-7H2,1-3H3,(H,19,20);8-9,13,22H,4-7H2,1-3H3,(H,19,20);8-9,13,22H,4-7H2,1-3H3,(H,19,20)
InChIKeyJDBRMSODKVVIFQ-UHFFFAOYSA-N
MW1267.60 g/mol
LogP9.03
Rot. Bonds15

About N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide

N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide (PubChem CID 158881495) has the molecular formula C54H66N12O12S6 and a molecular weight of 1267.60 g/mol. Its IUPAC name is N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide
PubChem CID158881495
Molecular FormulaC54H66N12O12S6
Molecular Weight1267.60 g/mol
Exact Mass1266.32
IUPAC NameN-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide
SMILESCSc1nc2c(S(=O)(=O)NC3CCCC3)cc(-c3c(C)noc3C)cc2[nH]1.Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(S(C)(=O)=O)[nH]c2c1.Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(S(C)=O)[nH]c2c1
InChIInChI=1S/C18H22N4O5S2.C18H22N4O4S2.C18H22N4O3S2/c1-10-16(11(2)27-21-10)12-8-14-17(20-18(19-14)28(3,23)24)15(9-12)29(25,26)22-13-6-4-5-7-13;1-10-16(11(2)26-21-10)12-8-14-17(20-18(19-14)27(3)23)15(9-12)28(24,25)22-13-6-4-5-7-13;1-10-16(11(2)25-21-10)12-8-14-17(20-18(19-14)26-3)15(9-12)27(23,24)22-13-6-4-5-7-13/h8-9,13,22H,4-7H2,1-3H3,(H,19,20);8-9,13,22H,4-7H2,1-3H3,(H,19,20);8-9,13,22H,4-7H2,1-3H3,(H,19,20)
InChIKeyJDBRMSODKVVIFQ-UHFFFAOYSA-N
XLogP9.03
TPSA353.85 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001267.60
LogP ≤ 59.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide
CID 86282834
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide
CID 118094016
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118093993
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide
CID 144852412
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
3,5-dimethyl-4-[2-methylsulfinyl-7-(1,3,5-trimethylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121293113
4-(cyclopentylmethylsulfonyl)-N-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine
CID 146801414
2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
CID 118094028
N-cyclopentyl-3-(1,3-dihydroxypropan-2-ylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118094082
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide
CID 91799311
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-oxo-1H-quinoline-5-sulfonamide
CID 144852369
N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118093992

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide?
The IUPAC name of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide (CID 158881495) is N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide.
What is the SMILES notation for N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide?
The canonical SMILES for N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide is CSc1nc2c(S(=O)(=O)NC3CCCC3)cc(-c3c(C)noc3C)cc2[nH]1.Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(S(C)(=O)=O)[nH]c2c1.Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(S(C)=O)[nH]c2c1.
What is the InChIKey of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide?
The InChIKey is JDBRMSODKVVIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S2.C18H22N4O4S2.C18H22N4O3S2/c1-10-16(11(2)27-21-10)12-8-14-17(20-18(19-14)28(3,23)24)15(9-12)29(25,26)22-13-6-4-5-7-13;1-10-16(11(2)26-21-10)12-8-14-17(20-18(19-14)27(3)23)15(9-12)28(24,25)22-13-6-4-5-7-13;1-10-16(11(2)25-21-10)12-8-14-17(20-18(19-14)26-3)15(9-12)27(23,24)22-13-6-4-5-7-13/h8-9,13,22H,4-7H2,1-3H3,(H,19,20);8-9,13,22H,4-7H2,1-3H3,(H,19,20);8-9,13,22H,4-7H2,1-3H3,(H,19,20).
What are the key properties of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide?
N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide has a molecular weight of 1267.60 g/mol, XLogP of 9.03, 15 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide is sourced from PubChem (CID 158881495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).