[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

C16H15ClN2O4S — CID 7807897

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H15ClN2O4S/c1-10-7-11(17)4-5-12(10)19-14(20)9-23-15(21)8-18-16(22)13-3-2-6-24-13/h2-7H,8-9H2,1H3,(H,18,22)(H,19,20)
InChIKeyRWFKMSDHLIGDED-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.62
Rot. Bonds6

About [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 7807897) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID7807897
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H15ClN2O4S/c1-10-7-11(17)4-5-12(10)19-14(20)9-23-15(21)8-18-16(22)13-3-2-6-24-13/h2-7H,8-9H2,1H3,(H,18,22)(H,19,20)
InChIKeyRWFKMSDHLIGDED-UHFFFAOYSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808095
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884053
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662212
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991335
N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187838
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 16598721
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7519386
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859795
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2397372
[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807951

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 7807897) is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is Cc1cc(Cl)ccc1NC(=O)COC(=O)CNC(=O)c1cccs1.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is RWFKMSDHLIGDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-10-7-11(17)4-5-12(10)19-14(20)9-23-15(21)8-18-16(22)13-3-2-6-24-13/h2-7H,8-9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 366.83 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 7807897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).