[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate

C19H22N2O4S — CID 7418958

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)sc1C
InChIInChI=1S/C19H22N2O4S/c1-4-8-14-11-15(26-12(14)2)18(23)25-16(13-9-6-5-7-10-13)17(22)21-19(24)20-3/h5-7,9-11,16H,4,8H2,1-3H3,(H2,20,21,22,24)/t16-/m1/s1
InChIKeyDSMLBONKHNWHAR-MRXNPFEDSA-N
MW374.46 g/mol
LogP3.36
Rot. Bonds6

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate (PubChem CID 7418958) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate
PubChem CID7418958
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)sc1C
InChIInChI=1S/C19H22N2O4S/c1-4-8-14-11-15(26-12(14)2)18(23)25-16(13-9-6-5-7-10-13)17(22)21-19(24)20-3/h5-7,9-11,16H,4,8H2,1-3H3,(H2,20,21,22,24)/t16-/m1/s1
InChIKeyDSMLBONKHNWHAR-MRXNPFEDSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-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

Related Compounds

(1-anilino-1-oxopropan-2-yl) 5-methyl-4-propylthiophene-2-carboxylate
CID 16516818
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878447
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2675381
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-nitrothiophene-2-carboxylate
CID 9364406
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
CID 2674912
1-O-methyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] benzene-1,4-dicarboxylate
CID 7239688
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666353
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 42243245
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 46811429
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7363668
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7478175

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate (CID 7418958) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate is CCCc1cc(C(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)sc1C.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The InChIKey is DSMLBONKHNWHAR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-8-14-11-15(26-12(14)2)18(23)25-16(13-9-6-5-7-10-13)17(22)21-19(24)20-3/h5-7,9-11,16H,4,8H2,1-3H3,(H2,20,21,22,24)/t16-/m1/s1.
What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate is sourced from PubChem (CID 7418958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).