N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide

C13H16N2O3S3 — CID 6503006

IUPACN-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(S(=O)(=O)NCc2cccs2)c(C)s1
InChIInChI=1S/C13H16N2O3S3/c1-3-14-13(16)11-7-12(9(2)20-11)21(17,18)15-8-10-5-4-6-19-10/h4-7,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyLQDSIZQONUDUPO-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.35
Rot. Bonds6

About N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide

N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide (PubChem CID 6503006) has the molecular formula C13H16N2O3S3 and a molecular weight of 344.48 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
PubChem CID6503006
Molecular FormulaC13H16N2O3S3
Molecular Weight344.48 g/mol
Exact Mass344.03
IUPAC NameN-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(S(=O)(=O)NCc2cccs2)c(C)s1
InChIInChI=1S/C13H16N2O3S3/c1-3-14-13(16)11-7-12(9(2)20-11)21(17,18)15-8-10-5-4-6-19-10/h4-7,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyLQDSIZQONUDUPO-UHFFFAOYSA-N
XLogP2.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6503046
4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide
CID 6502980
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6502784
2-(ethylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143225
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]-4-methylbenzoic acid
CID 6502999
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 86951524
4-bromo-3-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 104654364
2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46332101
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50822038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide (CID 6503006) is N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide is CCNC(=O)c1cc(S(=O)(=O)NCc2cccs2)c(C)s1.
What is the InChIKey of N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is LQDSIZQONUDUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S3/c1-3-14-13(16)11-7-12(9(2)20-11)21(17,18)15-8-10-5-4-6-19-10/h4-7,15H,3,8H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 6503006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).