2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid

C13H16N2O4S — CID 104569378

IUPAC2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid
SMILESCCNC(=O)c1ccc(NC(=O)CSCC(=O)O)cc1
InChIInChI=1S/C13H16N2O4S/c1-2-14-13(19)9-3-5-10(6-4-9)15-11(16)7-20-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyRKDFIQBINBGABA-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.19
Rot. Bonds7

About 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid

2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 104569378) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid
PubChem CID104569378
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid
SMILESCCNC(=O)c1ccc(NC(=O)CSCC(=O)O)cc1
InChIInChI=1S/C13H16N2O4S/c1-2-14-13(19)9-3-5-10(6-4-9)15-11(16)7-20-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyRKDFIQBINBGABA-UHFFFAOYSA-N
XLogP1.19
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoic acid
CID 55049118
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
2-[2-[4-(methoxycarbonylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569386
2-[[4-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]benzoyl]amino]acetic acid
CID 120522609
N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
CID 54818586
4-benzamido-N-ethylbenzamide
CID 17153265
2-[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 115575099
methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
CID 28638135
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
4-[(2-ethoxyacetyl)amino]-N-ethylbenzamide
CID 60793697

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid (CID 104569378) is 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid is CCNC(=O)c1ccc(NC(=O)CSCC(=O)O)cc1.
What is the InChIKey of 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is RKDFIQBINBGABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-2-14-13(19)9-3-5-10(6-4-9)15-11(16)7-20-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 296.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104569378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).