N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide

C21H20N4O3S — CID 141108110

IUPACN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3cccc4ccccc34)cc21
InChIInChI=1S/C21H20N4O3S/c1-13(2)29(27,28)25-19-12-15(10-11-18(19)24-21(25)22)23-20(26)17-9-5-7-14-6-3-4-8-16(14)17/h3-13H,1-2H3,(H2,22,24)(H,23,26)
InChIKeyCPRDNMDWXZOPBU-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.61
Rot. Bonds4

About N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide

N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide (PubChem CID 141108110) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide
PubChem CID141108110
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3cccc4ccccc34)cc21
InChIInChI=1S/C21H20N4O3S/c1-13(2)29(27,28)25-19-12-15(10-11-18(19)24-21(25)22)23-20(26)17-9-5-7-14-6-3-4-8-16(14)17/h3-13H,1-2H3,(H2,22,24)(H,23,26)
InChIKeyCPRDNMDWXZOPBU-UHFFFAOYSA-N
XLogP3.61
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-nitrobenzamide
CID 141108322
N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide
CID 141108120
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide
CID 510470
N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide
CID 100940866
(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(3-fluorophenyl)methanone
CID 515243
3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-N-methylprop-2-ynamide
CID 10639415
ethyl 3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-phenylprop-2-enoate
CID 54413341
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680673
4-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(3-fluorophenyl)but-3-en-2-one
CID 54099417
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide (CID 141108110) is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide is CC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3cccc4ccccc34)cc21.
What is the InChIKey of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide?
The InChIKey is CPRDNMDWXZOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-13(2)29(27,28)25-19-12-15(10-11-18(19)24-21(25)22)23-20(26)17-9-5-7-14-6-3-4-8-16(14)17/h3-13H,1-2H3,(H2,22,24)(H,23,26).
What are the key properties of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide?
N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 141108110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).