[4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid

C15H15NO4S — CID 67772583

IUPAC[4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid
SMILESCOc1cc(CC(=O)c2ccsc2)c(NC(=O)O)cc1C
InChIInChI=1S/C15H15NO4S/c1-9-5-12(16-15(18)19)11(7-14(9)20-2)6-13(17)10-3-4-21-8-10/h3-5,7-8,16H,6H2,1-2H3,(H,18,19)
InChIKeyAZPNJQCXRFXAJK-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.58
Rot. Bonds5

About [4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid

[4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid (PubChem CID 67772583) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is [4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid
PubChem CID67772583
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name[4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid
SMILESCOc1cc(CC(=O)c2ccsc2)c(NC(=O)O)cc1C
InChIInChI=1S/C15H15NO4S/c1-9-5-12(16-15(18)19)11(7-14(9)20-2)6-13(17)10-3-4-21-8-10/h3-5,7-8,16H,6H2,1-2H3,(H,18,19)
InChIKeyAZPNJQCXRFXAJK-UHFFFAOYSA-N
XLogP3.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
CID 105373155
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
CID 43626586
N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 17401848
N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide
CID 43549128
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid
CID 69047947
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide
CID 17419618
N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17498578
1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea
CID 75510519
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 99903101
2-(2-fluorophenyl)-1-thiophen-3-ylethanone
CID 60799392

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid?
The IUPAC name of [4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid (CID 67772583) is [4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid.
What is the SMILES notation for [4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid?
The canonical SMILES for [4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid is COc1cc(CC(=O)c2ccsc2)c(NC(=O)O)cc1C.
What is the InChIKey of [4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid?
The InChIKey is AZPNJQCXRFXAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-5-12(16-15(18)19)11(7-14(9)20-2)6-13(17)10-3-4-21-8-10/h3-5,7-8,16H,6H2,1-2H3,(H,18,19).
What are the key properties of [4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid?
[4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid has a molecular weight of 305.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid is sourced from PubChem (CID 67772583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).