4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide

C14H18N2O3S3 — CID 20937359

IUPAC4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide
SMILESCCCCN(Cc1cccs1)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C14H18N2O3S3/c1-2-3-6-16(9-11-5-4-7-20-11)22(18,19)12-8-13(14(15)17)21-10-12/h4-5,7-8,10H,2-3,6,9H2,1H3,(H2,15,17)
InChIKeyOKWIFRIKWCVOPM-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.90
Rot. Bonds8

About 4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide

4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 20937359) has the molecular formula C14H18N2O3S3 and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide
PubChem CID20937359
Molecular FormulaC14H18N2O3S3
Molecular Weight358.51 g/mol
Exact Mass358.05
IUPAC Name4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide
SMILESCCCCN(Cc1cccs1)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C14H18N2O3S3/c1-2-3-6-16(9-11-5-4-7-20-11)22(18,19)12-8-13(14(15)17)21-10-12/h4-5,7-8,10H,2-3,6,9H2,1H3,(H2,15,17)
InChIKeyOKWIFRIKWCVOPM-UHFFFAOYSA-N
XLogP2.90
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)thiophene-2-carboxamide
CID 2891912
N2,N2-dimethyl-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxamide
CID 2820417
Thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4779966
4-[(3-Methyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxamide
CID 6486032
N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-carboxamide
CID 18573629
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249
4-Diethylsulfamoyl-thiophene-2-carboxylic acid benzylamide
CID 647357
4-Diethylsulfamoyl-thiophene-2-carboxylic acid cyclohexylamide
CID 655038
[4-(Benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 717233
N-{3-[(2-thienylcarbonyl)amino]propyl}-2-thiophenecarboxamide
CID 1788010

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide (CID 20937359) is 4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide is CCCCN(Cc1cccs1)S(=O)(=O)c1csc(C(N)=O)c1.
What is the InChIKey of 4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is OKWIFRIKWCVOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S3/c1-2-3-6-16(9-11-5-4-7-20-11)22(18,19)12-8-13(14(15)17)21-10-12/h4-5,7-8,10H,2-3,6,9H2,1H3,(H2,15,17).
What are the key properties of 4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide?
4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20937359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).