[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate

C17H18ClNO3S — CID 8878593

IUPAC[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C17H18ClNO3S/c1-10-8-15(12(3)23-10)17(21)22-9-16(20)19-11(2)13-4-6-14(18)7-5-13/h4-8,11H,9H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeySNGSSFXYSUNVQS-LLVKDONJSA-N
MW351.86 g/mol
LogP4.05
Rot. Bonds5

About [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate (PubChem CID 8878593) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
PubChem CID8878593
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C17H18ClNO3S/c1-10-8-15(12(3)23-10)17(21)22-9-16(20)19-11(2)13-4-6-14(18)7-5-13/h4-8,11H,9H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeySNGSSFXYSUNVQS-LLVKDONJSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate 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

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873156
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747579
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878577
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7772041
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7772045
2-O-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506418
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644747
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7664310
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7764132
[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 95796841
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980169
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891534

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate (CID 8878593) is [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate is Cc1cc(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)s1.
What is the InChIKey of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The InChIKey is SNGSSFXYSUNVQS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-10-8-15(12(3)23-10)17(21)22-9-16(20)19-11(2)13-4-6-14(18)7-5-13/h4-8,11H,9H2,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate has a molecular weight of 351.86 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 8878593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).