2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid

C18H15NO3S — CID 854084

IUPAC2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid
SMILESCc1sc(C(=O)Nc2ccc3ccccc3c2)cc1CC(=O)O
InChIInChI=1S/C18H15NO3S/c1-11-14(10-17(20)21)9-16(23-11)18(22)19-15-7-6-12-4-2-3-5-13(12)8-15/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyVYXMAWNVLKCEAC-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.09
Rot. Bonds4

About 2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid

2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid (PubChem CID 854084) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid
PubChem CID854084
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid
SMILESCc1sc(C(=O)Nc2ccc3ccccc3c2)cc1CC(=O)O
InChIInChI=1S/C18H15NO3S/c1-11-14(10-17(20)21)9-16(23-11)18(22)19-15-7-6-12-4-2-3-5-13(12)8-15/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyVYXMAWNVLKCEAC-UHFFFAOYSA-N
XLogP4.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103238475
4-ethyl-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 9412427
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid
CID 103791536
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
CID 26086809
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 134059555
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 59654667
N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 7959725

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid (CID 854084) is 2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid is Cc1sc(C(=O)Nc2ccc3ccccc3c2)cc1CC(=O)O.
What is the InChIKey of 2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid?
The InChIKey is VYXMAWNVLKCEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-11-14(10-17(20)21)9-16(23-11)18(22)19-15-7-6-12-4-2-3-5-13(12)8-15/h2-9H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid?
2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid has a molecular weight of 325.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid is sourced from PubChem (CID 854084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).