N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide

C14H15N3O3S3 — CID 2271589

IUPACN-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H15N3O3S3/c15-23(19,20)11-5-3-10(4-6-11)7-8-16-14(21)17-13(18)12-2-1-9-22-12/h1-6,9H,7-8H2,(H2,15,19,20)(H2,16,17,18,21)
InChIKeyKUJKHYWDQYSCEK-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide

N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide (PubChem CID 2271589) has the molecular formula C14H15N3O3S3 and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide
PubChem CID2271589
Molecular FormulaC14H15N3O3S3
Molecular Weight369.49 g/mol
Exact Mass369.03
IUPAC NameN-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H15N3O3S3/c15-23(19,20)11-5-3-10(4-6-11)7-8-16-14(21)17-13(18)12-2-1-9-22-12/h1-6,9H,7-8H2,(H2,15,19,20)(H2,16,17,18,21)
InChIKeyKUJKHYWDQYSCEK-UHFFFAOYSA-N
XLogP1.24
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514
1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 7943075
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 748226
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9465319
N-(hexylcarbamothioyl)thiophene-2-carboxamide
CID 19187816
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 43233765
1-(4-bromophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 25040998
1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 1213468
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide (CID 2271589) is N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide?
The InChIKey is KUJKHYWDQYSCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S3/c15-23(19,20)11-5-3-10(4-6-11)7-8-16-14(21)17-13(18)12-2-1-9-22-12/h1-6,9H,7-8H2,(H2,15,19,20)(H2,16,17,18,21).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide?
N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 2271589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).