4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide

C13H14N2O4S2 — CID 20900828

IUPAC4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide
SMILESCOc1cccc(CNS(=O)(=O)c2csc(C(N)=O)c2)c1
InChIInChI=1S/C13H14N2O4S2/c1-19-10-4-2-3-9(5-10)7-15-21(17,18)11-6-12(13(14)16)20-8-11/h2-6,8,15H,7H2,1H3,(H2,14,16)
InChIKeyJILOEAWTUHXIHF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.33
Rot. Bonds6

About 4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide

4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 20900828) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide
PubChem CID20900828
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide
SMILESCOc1cccc(CNS(=O)(=O)c2csc(C(N)=O)c2)c1
InChIInChI=1S/C13H14N2O4S2/c1-19-10-4-2-3-9(5-10)7-15-21(17,18)11-6-12(13(14)16)20-8-11/h2-6,8,15H,7H2,1H3,(H2,14,16)
InChIKeyJILOEAWTUHXIHF-UHFFFAOYSA-N
XLogP1.33
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3371205
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 3846024
N-(3-methoxybenzyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
CID 3244569
3-methoxy-N-(2-(N-(thiophen-2-ylmethyl)sulfamoyl)ethyl)benzamide
CID 7618086
4-[(4-Propan-2-yloxyphenyl)methylsulfamoyl]thiophene-2-carboxamide
CID 16025143
4-methoxy-N-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinyl]methyl]benzenesulfonamide
CID 16189508
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(3-methoxybenzyl)thiophene-2-carboxamide
CID 16437306
N-(3-methoxybenzyl)thiophene-2-carboxamide
CID 2539104
N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide
CID 813098
N-(2-methoxybenzyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3242919
N-(3-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 7398868
4-methoxy-N-(2-(N-(thiophen-2-ylmethyl)sulfamoyl)ethyl)benzamide
CID 7423322

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide (CID 20900828) is 4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide is COc1cccc(CNS(=O)(=O)c2csc(C(N)=O)c2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is JILOEAWTUHXIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-19-10-4-2-3-9(5-10)7-15-21(17,18)11-6-12(13(14)16)20-8-11/h2-6,8,15H,7H2,1H3,(H2,14,16).
What are the key properties of 4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide?
4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20900828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).