N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C21H26N2O4S2 — CID 132670286

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC1(C)CC(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1
InChIInChI=1S/C21H26N2O4S2/c1-21(2)13-17(16-8-3-4-9-18(16)27-21)22-20(24)15-7-5-11-23(14-15)29(25,26)19-10-6-12-28-19/h3-4,6,8-10,12,15,17H,5,7,11,13-14H2,1-2H3,(H,22,24)
InChIKeyJRDIJOFPCJNHKM-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.57
Rot. Bonds4

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 132670286) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID132670286
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC1(C)CC(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1
InChIInChI=1S/C21H26N2O4S2/c1-21(2)13-17(16-8-3-4-9-18(16)27-21)22-20(24)15-7-5-11-23(14-15)29(25,26)19-10-6-12-28-19/h3-4,6,8-10,12,15,17H,5,7,11,13-14H2,1-2H3,(H,22,24)
InChIKeyJRDIJOFPCJNHKM-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-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

(3R)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125042763
(3R)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide
CID 124595063
(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide
CID 99713730
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
(3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 95118604
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3S)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 95196409
(3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 95877743
(3S)-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125074618
1-(benzenesulfonyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide
CID 133167722

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 132670286) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CC1(C)CC(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is JRDIJOFPCJNHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c1-21(2)13-17(16-8-3-4-9-18(16)27-21)22-20(24)15-7-5-11-23(14-15)29(25,26)19-10-6-12-28-19/h3-4,6,8-10,12,15,17H,5,7,11,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 132670286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).