3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide

C21H24N4O4S — CID 18116770

IUPAC3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCCn1c(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)nc2ccccc21
InChIInChI=1S/C21H24N4O4S/c1-3-25-17-7-5-4-6-16(17)23-20(25)13-22-21(26)14-8-11-18(29-2)19(12-14)30(27,28)24-15-9-10-15/h4-8,11-12,15,24H,3,9-10,13H2,1-2H3,(H,22,26)
InChIKeyRAQVCUHHLOACRQ-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.44
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide

3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide (PubChem CID 18116770) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
PubChem CID18116770
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCCn1c(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)nc2ccccc21
InChIInChI=1S/C21H24N4O4S/c1-3-25-17-7-5-4-6-16(17)23-20(25)13-22-21(26)14-8-11-18(29-2)19(12-14)30(27,28)24-15-9-10-15/h4-8,11-12,15,24H,3,9-10,13H2,1-2H3,(H,22,26)
InChIKeyRAQVCUHHLOACRQ-UHFFFAOYSA-N
XLogP2.44
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 55408900
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008513
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008409
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
N-[[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008426
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24549096

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide (CID 18116770) is 3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide is CCn1c(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)nc2ccccc21.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is RAQVCUHHLOACRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-3-25-17-7-5-4-6-16(17)23-20(25)13-22-21(26)14-8-11-18(29-2)19(12-14)30(27,28)24-15-9-10-15/h4-8,11-12,15,24H,3,9-10,13H2,1-2H3,(H,22,26).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide has a molecular weight of 428.51 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 18116770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).