2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid

C20H17NO3S — CID 59654667

IUPAC2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid
SMILESCc1cc(C(=O)Nc2cccc(CC(=O)O)c2)sc1-c1ccccc1
InChIInChI=1S/C20H17NO3S/c1-13-10-17(25-19(13)15-7-3-2-4-8-15)20(24)21-16-9-5-6-14(11-16)12-18(22)23/h2-11H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYVKCPGCZPOCSSN-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.60
Rot. Bonds5

About 2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid

2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 59654667) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid
PubChem CID59654667
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid
SMILESCc1cc(C(=O)Nc2cccc(CC(=O)O)c2)sc1-c1ccccc1
InChIInChI=1S/C20H17NO3S/c1-13-10-17(25-19(13)15-7-3-2-4-8-15)20(24)21-16-9-5-6-14(11-16)12-18(22)23/h2-11H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYVKCPGCZPOCSSN-UHFFFAOYSA-N
XLogP4.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate
CID 121238680
2-[3-[(5-nitrothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 65345874
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
CID 65239175
2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940
4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide
CID 1309746
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
2-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]acetic acid
CID 115736177
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 119352015
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid (CID 59654667) is 2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid is Cc1cc(C(=O)Nc2cccc(CC(=O)O)c2)sc1-c1ccccc1.
What is the InChIKey of 2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is YVKCPGCZPOCSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-13-10-17(25-19(13)15-7-3-2-4-8-15)20(24)21-16-9-5-6-14(11-16)12-18(22)23/h2-11H,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid?
2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 351.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 59654667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).