4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide

C12H14N2O3S3 — CID 47004961

IUPAC4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)sc1C
InChIInChI=1S/C12H14N2O3S3/c1-7-5-10(18-8(7)2)12(15)14-6-9-3-4-11(19-9)20(13,16)17/h3-5H,6H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyMYPSBGWBBWMCNH-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.00
Rot. Bonds4

About 4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide

4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 47004961) has the molecular formula C12H14N2O3S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
PubChem CID47004961
Molecular FormulaC12H14N2O3S3
Molecular Weight330.46 g/mol
Exact Mass330.02
IUPAC Name4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)sc1C
InChIInChI=1S/C12H14N2O3S3/c1-7-5-10(18-8(7)2)12(15)14-6-9-3-4-11(19-9)20(13,16)17/h3-5H,6H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyMYPSBGWBBWMCNH-UHFFFAOYSA-N
XLogP2.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 47445414
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62339651
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010
2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 103600269
2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 47099009
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
2,2-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103837282
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462
(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119270466
5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 46593431

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide (CID 47004961) is 4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide is Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is MYPSBGWBBWMCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S3/c1-7-5-10(18-8(7)2)12(15)14-6-9-3-4-11(19-9)20(13,16)17/h3-5H,6H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47004961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).