2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate

C13H11N2O3S- — CID 3667213

IUPAC2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate
SMILESNc1sc(-c2ccccc2)cc1C(=O)NCC(=O)[O-]
InChIInChI=1S/C13H12N2O3S/c14-12-9(13(18)15-7-11(16)17)6-10(19-12)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,18)(H,16,17)/p-1
InChIKeyFKHLXNADPODFIE-UHFFFAOYSA-M
MW275.31 g/mol
LogP0.48
Rot. Bonds4

About 2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate

2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate (PubChem CID 3667213) has the molecular formula C13H11N2O3S- and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Name2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate
PubChem CID3667213
Molecular FormulaC13H11N2O3S-
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate
SMILESNc1sc(-c2ccccc2)cc1C(=O)NCC(=O)[O-]
InChIInChI=1S/C13H12N2O3S/c14-12-9(13(18)15-7-11(16)17)6-10(19-12)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,18)(H,16,17)/p-1
InChIKeyFKHLXNADPODFIE-UHFFFAOYSA-M
XLogP0.48
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide
CID 134146525
2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide
CID 167495698
2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
CID 134815708
2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide
CID 134146546
(2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
CID 43367357
(2-amino-5-phenylthiophen-3-yl) acetate
CID 174546159
2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide
CID 86597114
5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
2-[(2-carboxy-5-phenylthiophen-3-yl)amino]-2-oxoacetate
CID 59871706
2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9169110
2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid
CID 84750723
2-amino-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]thiophene-3-carboxylic acid
CID 54768175

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate?
The IUPAC name of 2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate (CID 3667213) is 2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate.
What is the SMILES notation for 2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate?
The canonical SMILES for 2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate is Nc1sc(-c2ccccc2)cc1C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate?
The InChIKey is FKHLXNADPODFIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N2O3S/c14-12-9(13(18)15-7-11(16)17)6-10(19-12)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,18)(H,16,17)/p-1.
What are the key properties of 2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate?
2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate has a molecular weight of 275.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate is sourced from PubChem (CID 3667213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).