N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide

C18H19N3O4S2 — CID 6503614

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N(C)CCc3ccccc3)cs2)no1
InChIInChI=1S/C18H19N3O4S2/c1-13-10-17(20-25-13)19-18(22)16-11-15(12-26-16)27(23,24)21(2)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,19,20,22)
InChIKeyJAKGMOBEHYSJLK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.16
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 6503614) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide
PubChem CID6503614
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N(C)CCc3ccccc3)cs2)no1
InChIInChI=1S/C18H19N3O4S2/c1-13-10-17(20-25-13)19-18(22)16-11-15(12-26-16)27(23,24)21(2)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,19,20,22)
InChIKeyJAKGMOBEHYSJLK-UHFFFAOYSA-N
XLogP3.16
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503197
3-[benzyl(methyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109064674
3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid
CID 6504149
N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxamide
CID 27261690
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 110865517
5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide
CID 6503048
4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073778
4-[(4-methoxyphenyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6504134
N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6504167
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 6486033

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide (CID 6503614) is N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N(C)CCc3ccccc3)cs2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is JAKGMOBEHYSJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-13-10-17(20-25-13)19-18(22)16-11-15(12-26-16)27(23,24)21(2)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,19,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 6503614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).