N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide

C25H26N4O4S — CID 55380926

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C25H26N4O4S/c1-17(24-27-20-11-7-8-12-21(20)28-24)26-25(30)19-13-14-22(33-3)23(15-19)34(31,32)29(2)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyDQKDEFWPUAEWQP-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.88
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide (PubChem CID 55380926) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide
PubChem CID55380926
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C25H26N4O4S/c1-17(24-27-20-11-7-8-12-21(20)28-24)26-25(30)19-13-14-22(33-3)23(15-19)34(31,32)29(2)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyDQKDEFWPUAEWQP-UHFFFAOYSA-N
XLogP3.88
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55380895
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 55380856
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
CID 60592481
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592565
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide (CID 55380926) is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide?
The InChIKey is DQKDEFWPUAEWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-17(24-27-20-11-7-8-12-21(20)28-24)26-25(30)19-13-14-22(33-3)23(15-19)34(31,32)29(2)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide has a molecular weight of 478.57 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide is sourced from PubChem (CID 55380926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).