N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide

C18H20N4O4S — CID 141108120

IUPACN-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)nc(N)n2S(=O)(=O)C(C)C
InChIInChI=1S/C18H20N4O4S/c1-11(2)27(24,25)22-15-9-8-12(10-14(15)21-18(22)19)20-17(23)13-6-4-5-7-16(13)26-3/h4-11H,1-3H3,(H2,19,21)(H,20,23)
InChIKeyHGESIGKJZRXYBR-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.47
Rot. Bonds5

About N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide

N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide (PubChem CID 141108120) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide
PubChem CID141108120
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)nc(N)n2S(=O)(=O)C(C)C
InChIInChI=1S/C18H20N4O4S/c1-11(2)27(24,25)22-15-9-8-12(10-14(15)21-18(22)19)20-17(23)13-6-4-5-7-16(13)26-3/h4-11H,1-3H3,(H2,19,21)(H,20,23)
InChIKeyHGESIGKJZRXYBR-UHFFFAOYSA-N
XLogP2.47
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)naphthalene-1-carboxamide
CID 141108110
2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide
CID 5155441
N-[2-(4-fluorophenyl)-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 169245071
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 667164
2-methoxy-N-(1-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245109
2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
CID 4895369
2-methoxy-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 1336954
ethyl 2-amino-1-propan-2-ylsulfonylbenzimidazole-5-carboxylate
CID 12837956
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide
CID 1216166
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 4887664
4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490510
N-(1-ethyl-2-phenylindol-5-yl)-2-methoxybenzamide
CID 24760244

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide?
The IUPAC name of N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide (CID 141108120) is N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc2c(c1)nc(N)n2S(=O)(=O)C(C)C.
What is the InChIKey of N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide?
The InChIKey is HGESIGKJZRXYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-11(2)27(24,25)22-15-9-8-12(10-14(15)21-18(22)19)20-17(23)13-6-4-5-7-16(13)26-3/h4-11H,1-3H3,(H2,19,21)(H,20,23).
What are the key properties of N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide?
N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide has a molecular weight of 388.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 141108120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).