N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

C26H27N3O3S — CID 55966598

IUPACN-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C26H27N3O3S/c1-28(26(32)23-13-8-16-33-23)22-12-4-3-11-21(22)24(30)27-18-19-9-7-10-20(17-19)25(31)29-14-5-2-6-15-29/h3-4,7-13,16-17H,2,5-6,14-15,18H2,1H3,(H,27,30)
InChIKeyHTSSTURANYUMMV-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.58
Rot. Bonds6

About N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55966598) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55966598
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C26H27N3O3S/c1-28(26(32)23-13-8-16-33-23)22-12-4-3-11-21(22)24(30)27-18-19-9-7-10-20(17-19)25(31)29-14-5-2-6-15-29/h3-4,7-13,16-17H,2,5-6,14-15,18H2,1H3,(H,27,30)
InChIKeyHTSSTURANYUMMV-UHFFFAOYSA-N
XLogP4.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55961993
N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55748660
N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46477196
N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 131937299
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 39461786
N-methyl-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 36543876
2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55722118
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46481195
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858
2-(2-cyanophenyl)sulfanyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 39474944
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55966598) is N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is CN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is HTSSTURANYUMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-28(26(32)23-13-8-16-33-23)22-12-4-3-11-21(22)24(30)27-18-19-9-7-10-20(17-19)25(31)29-14-5-2-6-15-29/h3-4,7-13,16-17H,2,5-6,14-15,18H2,1H3,(H,27,30).
What are the key properties of N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.58, 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-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55966598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).