N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C21H26F2N2O4S2 — CID 55656274

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1ccccc1OC(F)F
InChIInChI=1S/C21H26F2N2O4S2/c1-3-17(16-8-4-5-9-18(16)29-21(22)23)24-20(26)15-7-6-12-25(13-15)31(27,28)19-11-10-14(2)30-19/h4-5,8-11,15,17,21H,3,6-7,12-13H2,1-2H3,(H,24,26)
InChIKeyRAJQYBHCILLQPN-UHFFFAOYSA-N
MW472.58 g/mol
LogP4.33
Rot. Bonds8

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 55656274) has the molecular formula C21H26F2N2O4S2 and a molecular weight of 472.58 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID55656274
Molecular FormulaC21H26F2N2O4S2
Molecular Weight472.58 g/mol
Exact Mass472.13
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1ccccc1OC(F)F
InChIInChI=1S/C21H26F2N2O4S2/c1-3-17(16-8-4-5-9-18(16)29-21(22)23)24-20(26)15-7-6-12-25(13-15)31(27,28)19-11-10-14(2)30-19/h4-5,8-11,15,17,21H,3,6-7,12-13H2,1-2H3,(H,24,26)
InChIKeyRAJQYBHCILLQPN-UHFFFAOYSA-N
XLogP4.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-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-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-3-carboxamide
CID 55794397
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 100671673
(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 30534952
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide
CID 51956343
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55656137
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844401
ethyl N-[2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558739
N-[3-(aminomethyl)pentan-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119571833
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 100676832

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 55656274) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is CCC(NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is RAJQYBHCILLQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O4S2/c1-3-17(16-8-4-5-9-18(16)29-21(22)23)24-20(26)15-7-6-12-25(13-15)31(27,28)19-11-10-14(2)30-19/h4-5,8-11,15,17,21H,3,6-7,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 472.58 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55656274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).