[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate

C16H16N2O4S — CID 8983006

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H16N2O4S/c1-10-4-2-3-5-11(10)8-14(20)22-9-13(19)18-16-12(15(17)21)6-7-23-16/h2-7H,8-9H2,1H3,(H2,17,21)(H,18,19)
InChIKeyQONOWJXGHRQTLY-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.88
Rot. Bonds6

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 8983006) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID8983006
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H16N2O4S/c1-10-4-2-3-5-11(10)8-14(20)22-9-13(19)18-16-12(15(17)21)6-7-23-16/h2-7H,8-9H2,1H3,(H2,17,21)(H,18,19)
InChIKeyQONOWJXGHRQTLY-UHFFFAOYSA-N
XLogP1.88
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704814
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2498614
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 2608578
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489270
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212510
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-phenoxybutanoate
CID 3905587
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 2480699
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363758
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 3445289

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 8983006) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate is Cc1ccccc1CC(=O)OCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is QONOWJXGHRQTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-4-2-3-5-11(10)8-14(20)22-9-13(19)18-16-12(15(17)21)6-7-23-16/h2-7H,8-9H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate has a molecular weight of 332.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 8983006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).