2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid

C16H16N2O4S — CID 71936304

IUPAC2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
SMILESCc1cc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)sc1C
InChIInChI=1S/C16H16N2O4S/c1-9-6-13(23-10(9)2)16(22)18-12-5-3-4-11(7-12)15(21)17-8-14(19)20/h3-7H,8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyOBRHQYOBBVUASJ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.43
Rot. Bonds5

About 2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid

2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid (PubChem CID 71936304) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
PubChem CID71936304
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
SMILESCc1cc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)sc1C
InChIInChI=1S/C16H16N2O4S/c1-9-6-13(23-10(9)2)16(22)18-12-5-3-4-11(7-12)15(21)17-8-14(19)20/h3-7H,8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyOBRHQYOBBVUASJ-UHFFFAOYSA-N
XLogP2.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
CID 90870302
N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
CID 65239175
4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
CID 61118215
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid
CID 58944712
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate
CID 61117526
1-[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243500
2-[[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzoyl]amino]acetic acid
CID 75429323
N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31506049

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid (CID 71936304) is 2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid is Cc1cc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)sc1C.
What is the InChIKey of 2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid?
The InChIKey is OBRHQYOBBVUASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-9-6-13(23-10(9)2)16(22)18-12-5-3-4-11(7-12)15(21)17-8-14(19)20/h3-7H,8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of 2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid?
2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid has a molecular weight of 332.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 71936304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).