N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

C20H22N4O3S2 — CID 25442102

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C20H22N4O3S2/c1-28-13-19-22-17-7-2-3-8-18(17)24(19)12-20(25)21-15-5-4-6-16(11-15)29(26,27)23-14-9-10-14/h2-8,11,14,23H,9-10,12-13H2,1H3,(H,21,25)
InChIKeyQRPRLBSKTXWPBG-UHFFFAOYSA-N
MW430.56 g/mol
LogP2.98
Rot. Bonds8

About N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 25442102) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID25442102
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C20H22N4O3S2/c1-28-13-19-22-17-7-2-3-8-18(17)24(19)12-20(25)21-15-5-4-6-16(11-15)29(26,27)23-14-9-10-14/h2-8,11,14,23H,9-10,12-13H2,1H3,(H,21,25)
InChIKeyQRPRLBSKTXWPBG-UHFFFAOYSA-N
XLogP2.98
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 40723945
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methylindol-1-yl)acetamide
CID 25441973
N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55881639
N,N-dimethyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 33366215
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55457213
2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 27335104
methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55886959
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 26721864
N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55705772
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55532655
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 24514218

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 25442102) is N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is CSCc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is QRPRLBSKTXWPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-28-13-19-22-17-7-2-3-8-18(17)24(19)12-20(25)21-15-5-4-6-16(11-15)29(26,27)23-14-9-10-14/h2-8,11,14,23H,9-10,12-13H2,1H3,(H,21,25).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 430.56 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 25442102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).