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

C19H23N5O5S2 — CID 2998006

IUPAC2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCCCCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C19H23N5O5S2/c1-2-3-8-24-16-7-6-14(31(20,27)28)10-15(16)22-19(24)30-12-17(25)23-18(26)21-11-13-5-4-9-29-13/h4-7,9-10H,2-3,8,11-12H2,1H3,(H2,20,27,28)(H2,21,23,25,26)
InChIKeyFJDSKLLZOWFKRX-UHFFFAOYSA-N
MW465.56 g/mol
LogP2.19
Rot. Bonds9

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

2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2998006) has the molecular formula C19H23N5O5S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2998006
Molecular FormulaC19H23N5O5S2
Molecular Weight465.56 g/mol
Exact Mass465.11
IUPAC Name2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCCCCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C19H23N5O5S2/c1-2-3-8-24-16-7-6-14(31(20,27)28)10-15(16)22-19(24)30-12-17(25)23-18(26)21-11-13-5-4-9-29-13/h4-7,9-10H,2-3,8,11-12H2,1H3,(H2,20,27,28)(H2,21,23,25,26)
InChIKeyFJDSKLLZOWFKRX-UHFFFAOYSA-N
XLogP2.19
TPSA149.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2998006) is 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is CCCCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is FJDSKLLZOWFKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S2/c1-2-3-8-24-16-7-6-14(31(20,27)28)10-15(16)22-19(24)30-12-17(25)23-18(26)21-11-13-5-4-9-29-13/h4-7,9-10H,2-3,8,11-12H2,1H3,(H2,20,27,28)(H2,21,23,25,26).
What are the key properties of 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 465.56 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2998006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).