4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide

C13H15N3O5S3 — CID 20937288

IUPAC4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C13H15N3O5S3/c14-13(17)12-7-11(8-22-12)24(20,21)16-6-5-9-1-3-10(4-2-9)23(15,18)19/h1-4,7-8,16H,5-6H2,(H2,14,17)(H2,15,18,19)
InChIKeyFGGIZDTYMFQDQQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.02
Rot. Bonds7

About 4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide

4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide (PubChem CID 20937288) has the molecular formula C13H15N3O5S3 and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide
PubChem CID20937288
Molecular FormulaC13H15N3O5S3
Molecular Weight389.48 g/mol
Exact Mass389.02
IUPAC Name4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C13H15N3O5S3/c14-13(17)12-7-11(8-22-12)24(20,21)16-6-5-9-1-3-10(4-2-9)23(15,18)19/h1-4,7-8,16H,5-6H2,(H2,14,17)(H2,15,18,19)
InChIKeyFGGIZDTYMFQDQQ-UHFFFAOYSA-N
XLogP0.02
TPSA149.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-(4-(aminosulfonyl)phenyl)ethyl)-2-(2-thienyl)acetamide
CID 670786
N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)thiophene-2-carboxamide
CID 6486036
4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-[(2-Phenylethyl)sulfamoyl]thiophene-2-carboxamide
CID 6486061
4-{[(2-Methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16025119
N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 647357
5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 1245237
N,N-diethyl-4-{[2-(2-thienylcarbonyl)hydrazino]carbonyl}benzenesulfonamide
CID 1381288
5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide
CID 2449456
4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675231
4-(dimethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 2675259

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide (CID 20937288) is 4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1.
What is the InChIKey of 4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is FGGIZDTYMFQDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S3/c14-13(17)12-7-11(8-22-12)24(20,21)16-6-5-9-1-3-10(4-2-9)23(15,18)19/h1-4,7-8,16H,5-6H2,(H2,14,17)(H2,15,18,19).
What are the key properties of 4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide?
4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20937288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).