methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate

C19H22N2O4S2 — CID 652711

IUPACmethyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C19H22N2O4S2/c1-12-15(19(24)25-2)17(20-14(22)11-13-7-6-10-26-13)27-16(12)18(23)21-8-4-3-5-9-21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,22)
InChIKeyQXXMHQROBRKAFA-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.71
Rot. Bonds5

About methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate

methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 652711) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID652711
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Namemethyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C19H22N2O4S2/c1-12-15(19(24)25-2)17(20-14(22)11-13-7-6-10-26-13)27-16(12)18(23)21-8-4-3-5-9-21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,22)
InChIKeyQXXMHQROBRKAFA-UHFFFAOYSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]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

Diethyl 2-[(Thiophen-2-Ylacetyl)amino]-4,7-Dihydrothieno[2,3-C]pyridine-3,6(5h)-Dicarboxylate
CID 30515311
3-O-cyclopentyl 6-O-ethyl 2-[(2-thiophen-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 53393812
2-Acetylamino-4-methyl-5-(morpholine-4-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 829075
Methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841141
methyl 2-(acetylamino)-4-methyl-5-(N-phenylcarbamoyl)thiophene-3-carboxylate
CID 846267
Methyl 2-amino-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate
CID 2231873
5-[(3-Ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid
CID 661072
diethyl 2-[(phenylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
CID 1047282
Ethyl 2-[[2-(diethylamino)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 1251215
Ethyl 5-[(dimethylamino)carbonyl]-4-methyl-2-[(2-thienylcarbonyl)amino]-3-thiophenecarboxylate
CID 1313207
Ethyl 5-(aminocarbonyl)-4-methyl-2-{[phenyl(phenylthio)acetyl]amino}-3-thiophenecarboxylate
CID 2933309
Isopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-{[phenyl(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate
CID 3318459

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate (CID 652711) is methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCCCC2)c1C.
What is the InChIKey of methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is QXXMHQROBRKAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-12-15(19(24)25-2)17(20-14(22)11-13-7-6-10-26-13)27-16(12)18(23)21-8-4-3-5-9-21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,22).
What are the key properties of methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 406.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-(piperidine-1-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 652711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).