2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid

C15H15NO4S — CID 81117482

IUPAC2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCOc1csc(C(=O)NC(Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-20-11-8-13(21-9-11)14(17)16-12(15(18)19)7-10-5-3-2-4-6-10/h2-6,8-9,12H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyXWYHUIDCUYZKBY-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.18
Rot. Bonds6

About 2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid

2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 81117482) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID81117482
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCOc1csc(C(=O)NC(Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-20-11-8-13(21-9-11)14(17)16-12(15(18)19)7-10-5-3-2-4-6-10/h2-6,8-9,12H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyXWYHUIDCUYZKBY-UHFFFAOYSA-N
XLogP2.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547332
(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
CID 107564238
4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 81117804
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide
CID 113274725
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43170130
1-(4-methoxythiophen-2-yl)-2-phenylethanone
CID 81123035
2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid
CID 53264150
2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 5126450
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
2-[(5-bromothiophene-3-carbonyl)amino]-3-phenylpropanoic acid
CID 43353217
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid (CID 81117482) is 2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid is COc1csc(C(=O)NC(Cc2ccccc2)C(=O)O)c1.
What is the InChIKey of 2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is XWYHUIDCUYZKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-11-8-13(21-9-11)14(17)16-12(15(18)19)7-10-5-3-2-4-6-10/h2-6,8-9,12H,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid?
2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 81117482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).