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

C18H19N3O4S2 — CID 6503048

IUPAC5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)c(C)s2)no1
InChIInChI=1S/C18H19N3O4S2/c1-12-10-17(21-25-12)20-18(22)15-11-16(13(2)26-15)27(23,24)19-9-8-14-6-4-3-5-7-14/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21,22)
InChIKeyMGSOJPHZWGLOGC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.13
Rot. Bonds7

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

5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide (PubChem CID 6503048) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide
PubChem CID6503048
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC Name5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)c(C)s2)no1
InChIInChI=1S/C18H19N3O4S2/c1-12-10-17(21-25-12)20-18(22)15-11-16(13(2)26-15)27(23,24)19-9-8-14-6-4-3-5-7-14/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21,22)
InChIKeyMGSOJPHZWGLOGC-UHFFFAOYSA-N
XLogP3.13
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503042
5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6503046
4-(dimethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6502660
N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide
CID 109061114
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259621
N-(5-methyl-1,2-oxazol-3-yl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191960
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide
CID 110370442
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330438
N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide
CID 6503614
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370453
3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17225907
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194952

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide (CID 6503048) is 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)c(C)s2)no1.
What is the InChIKey of 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is MGSOJPHZWGLOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-12-10-17(21-25-12)20-18(22)15-11-16(13(2)26-15)27(23,24)19-9-8-14-6-4-3-5-7-14/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21,22).
What are the key properties of 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide?
5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 6503048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).