4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid

C16H17NO3S — CID 79488943

IUPAC4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
SMILESCC(Cc1cccs1)N(C)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H17NO3S/c1-11(10-14-4-3-9-21-14)17(2)15(18)12-5-7-13(8-6-12)16(19)20/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyFLJRLXFJLNIFSF-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.15
Rot. Bonds5

About 4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid

4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid (PubChem CID 79488943) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
PubChem CID79488943
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
SMILESCC(Cc1cccs1)N(C)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H17NO3S/c1-11(10-14-4-3-9-21-14)17(2)15(18)12-5-7-13(8-6-12)16(19)20/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyFLJRLXFJLNIFSF-UHFFFAOYSA-N
XLogP3.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103722067
4-hydroxy-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103865710
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
6-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 113323652
2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
CID 79491922
2-[4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 79488944
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 79494174

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid?
The IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid (CID 79488943) is 4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid is CC(Cc1cccs1)N(C)C(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid?
The InChIKey is FLJRLXFJLNIFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11(10-14-4-3-9-21-14)17(2)15(18)12-5-7-13(8-6-12)16(19)20/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid?
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid has a molecular weight of 303.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 79488943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).