N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C22H24N4O3S — CID 50822870

IUPACN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1c(CCc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)nc2ccccc21
InChIInChI=1S/C22H24N4O3S/c1-4-26-20-8-6-5-7-19(20)23-21(26)14-11-17-9-12-18(13-10-17)25-30(27,28)22-15(2)24-29-16(22)3/h5-10,12-13,25H,4,11,14H2,1-3H3
InChIKeyMRLVPWINYLTIBT-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.25
Rot. Bonds7

About N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 50822870) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID50822870
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1c(CCc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)nc2ccccc21
InChIInChI=1S/C22H24N4O3S/c1-4-26-20-8-6-5-7-19(20)23-21(26)14-11-17-9-12-18(13-10-17)25-30(27,28)22-15(2)24-29-16(22)3/h5-10,12-13,25H,4,11,14H2,1-3H3
InChIKeyMRLVPWINYLTIBT-UHFFFAOYSA-N
XLogP4.25
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 50822902
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 46379481
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide
CID 46379509
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 50765566
N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986500
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112983434
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972167
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
CID 50765558

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 50822870) is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCn1c(CCc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MRLVPWINYLTIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-4-26-20-8-6-5-7-19(20)23-21(26)14-11-17-9-12-18(13-10-17)25-30(27,28)22-15(2)24-29-16(22)3/h5-10,12-13,25H,4,11,14H2,1-3H3.
What are the key properties of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 424.53 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 50822870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).