methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate

C20H21ClN2O5S — CID 1130857

IUPACmethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C20H21ClN2O5S/c1-12-16(20(26)27-2)18(22-15(24)11-13-3-5-14(21)6-4-13)29-17(12)19(25)23-7-9-28-10-8-23/h3-6H,7-11H2,1-2H3,(H,22,24)
InChIKeyVJOUFQKNHVGPSH-UHFFFAOYSA-N
MW436.92 g/mol
LogP3.15
Rot. Bonds5

About methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate

methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate (PubChem CID 1130857) has the molecular formula C20H21ClN2O5S and a molecular weight of 436.92 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
PubChem CID1130857
Molecular FormulaC20H21ClN2O5S
Molecular Weight436.92 g/mol
Exact Mass436.09
IUPAC Namemethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C20H21ClN2O5S/c1-12-16(20(26)27-2)18(22-15(24)11-13-3-5-14(21)6-4-13)29-17(12)19(25)23-7-9-28-10-8-23/h3-6H,7-11H2,1-2H3,(H,22,24)
InChIKeyVJOUFQKNHVGPSH-UHFFFAOYSA-N
XLogP3.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-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

ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 17062593
methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 1131506
methyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1130849
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-5-(dipropylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1131108
methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 2231943
methyl 4-methyl-2-(propanoylamino)-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
CID 17063743
methyl 5-(dimethylcarbamoyl)-4-methyl-2-(morpholine-4-carbothioylamino)thiophene-3-carboxylate
CID 19653726
methyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 17061139
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131174
methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 3141698
ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1004833
methyl 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 55552889

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate (CID 1130857) is methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc(C(=O)N2CCOCC2)c1C.
What is the InChIKey of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
The InChIKey is VJOUFQKNHVGPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5S/c1-12-16(20(26)27-2)18(22-15(24)11-13-3-5-14(21)6-4-13)29-17(12)19(25)23-7-9-28-10-8-23/h3-6H,7-11H2,1-2H3,(H,22,24).
What are the key properties of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate has a molecular weight of 436.92 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate is sourced from PubChem (CID 1130857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).