N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide

C21H27N3O2S — CID 55846194

IUPACN-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC1CCN(Cc2ccc(NC(=O)CN(C)C(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C21H27N3O2S/c1-16-9-11-24(12-10-16)14-17-5-7-18(8-6-17)22-20(25)15-23(2)21(26)19-4-3-13-27-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,22,25)
InChIKeySCVDIYMIYJSBSI-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.69
Rot. Bonds6

About N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide

N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 55846194) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID55846194
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC1CCN(Cc2ccc(NC(=O)CN(C)C(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C21H27N3O2S/c1-16-9-11-24(12-10-16)14-17-5-7-18(8-6-17)22-20(25)15-23(2)21(26)19-4-3-13-27-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,22,25)
InChIKeySCVDIYMIYJSBSI-UHFFFAOYSA-N
XLogP3.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide 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

N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-methyl-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]thiophene-2-carboxamide
CID 55654517
5-bromo-N-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 55841182
N-methyl-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 36543876
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549410
N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47068278
methyl N-[4-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845804
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320873

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide (CID 55846194) is N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide is CC1CCN(Cc2ccc(NC(=O)CN(C)C(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SCVDIYMIYJSBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16-9-11-24(12-10-16)14-17-5-7-18(8-6-17)22-20(25)15-23(2)21(26)19-4-3-13-27-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,22,25).
What are the key properties of N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide?
N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55846194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).