N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C22H28N4O4S2 — CID 43052907

IUPACN-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C22H28N4O4S2/c23-21(27)16-8-9-19(25-10-2-1-3-11-25)18(14-16)24-22(28)17-6-4-12-26(15-17)32(29,30)20-7-5-13-31-20/h5,7-9,13-14,17H,1-4,6,10-12,15H2,(H2,23,27)(H,24,28)
InChIKeySYNDTNQRICKSQB-UHFFFAOYSA-N
MW476.62 g/mol
LogP2.88
Rot. Bonds6

About N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 43052907) has the molecular formula C22H28N4O4S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID43052907
Molecular FormulaC22H28N4O4S2
Molecular Weight476.62 g/mol
Exact Mass476.16
IUPAC NameN-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C22H28N4O4S2/c23-21(27)16-8-9-19(25-10-2-1-3-11-25)18(14-16)24-22(28)17-6-4-12-26(15-17)32(29,30)20-7-5-13-31-20/h5,7-9,13-14,17H,1-4,6,10-12,15H2,(H2,23,27)(H,24,28)
InChIKeySYNDTNQRICKSQB-UHFFFAOYSA-N
XLogP2.88
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-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-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16606519
(3S)-N-(4-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9076312
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 42923024
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55412213
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 46764341
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
(3R)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092353
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 43052907) is N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1.
What is the InChIKey of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is SYNDTNQRICKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S2/c23-21(27)16-8-9-19(25-10-2-1-3-11-25)18(14-16)24-22(28)17-6-4-12-26(15-17)32(29,30)20-7-5-13-31-20/h5,7-9,13-14,17H,1-4,6,10-12,15H2,(H2,23,27)(H,24,28).
What are the key properties of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43052907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).