5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide

C15H15N3O4S3 — CID 6503046

IUPAC5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)NCc3cccs3)c(C)s2)no1
InChIInChI=1S/C15H15N3O4S3/c1-9-6-14(18-22-9)17-15(19)12-7-13(10(2)24-12)25(20,21)16-8-11-4-3-5-23-11/h3-7,16H,8H2,1-2H3,(H,17,18,19)
InChIKeyLDZCFLNTFNIYEL-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.15
Rot. Bonds6

About 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide

5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide (PubChem CID 6503046) has the molecular formula C15H15N3O4S3 and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
PubChem CID6503046
Molecular FormulaC15H15N3O4S3
Molecular Weight397.50 g/mol
Exact Mass397.02
IUPAC Name5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)NCc3cccs3)c(C)s2)no1
InChIInChI=1S/C15H15N3O4S3/c1-9-6-14(18-22-9)17-15(19)12-7-13(10(2)24-12)25(20,21)16-8-11-4-3-5-23-11/h3-7,16H,8H2,1-2H3,(H,17,18,19)
InChIKeyLDZCFLNTFNIYEL-UHFFFAOYSA-N
XLogP3.15
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6503006
5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide
CID 6503048
4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503042
4-(dimethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6502660
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 110370222
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50822038
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50821694
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 53056993
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide
CID 110866692
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6502784

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide (CID 6503046) is 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)NCc3cccs3)c(C)s2)no1.
What is the InChIKey of 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is LDZCFLNTFNIYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S3/c1-9-6-14(18-22-9)17-15(19)12-7-13(10(2)24-12)25(20,21)16-8-11-4-3-5-23-11/h3-7,16H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 6503046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).