[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate

C19H22N2O4S — CID 7837811

IUPAC[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C19H22N2O4S/c1-12-5-8-15(9-6-12)20-17(22)11-21(4)18(23)14(3)25-19(24)16-10-7-13(2)26-16/h5-10,14H,11H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyDRBJJTLUMKKFHT-CQSZACIVSA-N
MW374.46 g/mol
LogP3.01
Rot. Bonds6

About [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate

[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate (PubChem CID 7837811) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
PubChem CID7837811
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C19H22N2O4S/c1-12-5-8-15(9-6-12)20-17(22)11-21(4)18(23)14(3)25-19(24)16-10-7-13(2)26-16/h5-10,14H,11H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyDRBJJTLUMKKFHT-CQSZACIVSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate (CID 7837811) is [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate is Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate?
The InChIKey is DRBJJTLUMKKFHT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12-5-8-15(9-6-12)20-17(22)11-21(4)18(23)14(3)25-19(24)16-10-7-13(2)26-16/h5-10,14H,11H2,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate?
[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 7837811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).