ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate

C12H16N4O4S — CID 114464444

IUPACethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O4S/c1-2-20-12(17)16-21(18,19)13-8-7-11-14-9-5-3-4-6-10(9)15-11/h3-6,13H,2,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyLRPAMTPAVIZGIH-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.69
Rot. Bonds6

About ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate

ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate (PubChem CID 114464444) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate
PubChem CID114464444
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Nameethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O4S/c1-2-20-12(17)16-21(18,19)13-8-7-11-14-9-5-3-4-6-10(9)15-11/h3-6,13H,2,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyLRPAMTPAVIZGIH-UHFFFAOYSA-N
XLogP0.69
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate (CID 114464444) is ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate?
The InChIKey is LRPAMTPAVIZGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-2-20-12(17)16-21(18,19)13-8-7-11-14-9-5-3-4-6-10(9)15-11/h3-6,13H,2,7-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate?
ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate has a molecular weight of 312.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate is sourced from PubChem (CID 114464444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).