4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid

C17H19NO4S — CID 120547332

IUPAC4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
SMILESCOc1csc(C(=O)NC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C17H19NO4S/c1-22-14-10-15(23-11-14)17(21)18-13(7-8-16(19)20)9-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyZQGYHVINNWVCIY-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.96
Rot. Bonds8

About 4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid

4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 120547332) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID120547332
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
SMILESCOc1csc(C(=O)NC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C17H19NO4S/c1-22-14-10-15(23-11-14)17(21)18-13(7-8-16(19)20)9-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyZQGYHVINNWVCIY-UHFFFAOYSA-N
XLogP2.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 81117482
4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
CID 120546954
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546697
4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546722
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid
CID 120690192
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119
1-(4-methoxythiophen-2-yl)-2-phenylethanone
CID 81123035

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid (CID 120547332) is 4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid is COc1csc(C(=O)NC(CCC(=O)O)Cc2ccccc2)c1.
What is the InChIKey of 4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is ZQGYHVINNWVCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-22-14-10-15(23-11-14)17(21)18-13(7-8-16(19)20)9-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid?
4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 333.41 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120547332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).