2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C18H22N4O3S3 — CID 4809908

IUPAC2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCn1c(SCC(=O)NCc2cccs2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C18H22N4O3S3/c1-2-3-8-22-16-7-6-14(28(19,24)25)10-15(16)21-18(22)27-12-17(23)20-11-13-5-4-9-26-13/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyHWCFNAPGLAHXJM-UHFFFAOYSA-N
MW438.60 g/mol
LogP2.95
Rot. Bonds9

About 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4809908) has the molecular formula C18H22N4O3S3 and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4809908
Molecular FormulaC18H22N4O3S3
Molecular Weight438.60 g/mol
Exact Mass438.09
IUPAC Name2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCn1c(SCC(=O)NCc2cccs2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C18H22N4O3S3/c1-2-3-8-22-16-7-6-14(28(19,24)25)10-15(16)21-18(22)27-12-17(23)20-11-13-5-4-9-26-13/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyHWCFNAPGLAHXJM-UHFFFAOYSA-N
XLogP2.95
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809907
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 3415698
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 25039119
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7839697
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4798928
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 9329551
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 25044033
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 4798979
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
CID 7488097
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 25042714
methyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 7043281
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 25039593

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 4809908) is 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is CCCCn1c(SCC(=O)NCc2cccs2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HWCFNAPGLAHXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S3/c1-2-3-8-22-16-7-6-14(28(19,24)25)10-15(16)21-18(22)27-12-17(23)20-11-13-5-4-9-26-13/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 438.60 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4809908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).