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

C18H22N4O4S2 — CID 4878951

IUPAC2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCCCn1c(SCC(=O)NCc2ccco2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C18H22N4O4S2/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)
InChIKeyYRDXSRSYVJPEMF-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.49
Rot. Bonds9

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

2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 4878951) has the molecular formula C18H22N4O4S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID4878951
Molecular FormulaC18H22N4O4S2
Molecular Weight422.53 g/mol
Exact Mass422.11
IUPAC Name2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCCCn1c(SCC(=O)NCc2ccco2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C18H22N4O4S2/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)
InChIKeyYRDXSRSYVJPEMF-UHFFFAOYSA-N
XLogP2.49
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 4878951) is 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is CCCCn1c(SCC(=O)NCc2ccco2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YRDXSRSYVJPEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S2/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-(furan-2-ylmethyl)acetamide?
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 422.53 g/mol, XLogP of 2.49, 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4878951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).