1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide

C21H25FN2O5S — CID 133163634

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1cccc(N(C)C(=O)C2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)c1
InChIInChI=1S/C21H25FN2O5S/c1-23(17-7-4-8-18(13-17)28-2)21(25)15-6-5-11-24(14-15)30(26,27)20-12-16(22)9-10-19(20)29-3/h4,7-10,12-13,15H,5-6,11,14H2,1-3H3
InChIKeyNDTCGRPOOFNBGU-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.91
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide

1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 133163634) has the molecular formula C21H25FN2O5S and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID133163634
Molecular FormulaC21H25FN2O5S
Molecular Weight436.51 g/mol
Exact Mass436.15
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1cccc(N(C)C(=O)C2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)c1
InChIInChI=1S/C21H25FN2O5S/c1-23(17-7-4-8-18(13-17)28-2)21(25)15-6-5-11-24(14-15)30(26,27)20-12-16(22)9-10-19(20)29-3/h4,7-10,12-13,15H,5-6,11,14H2,1-3H3
InChIKeyNDTCGRPOOFNBGU-UHFFFAOYSA-N
XLogP2.91
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-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)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100800356
1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-phenylpiperidine-3-carboxamide
CID 133159763
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide
CID 125043565
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 133163640
N-(2,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872989
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 133163562
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 30401696
N-(3-cyanophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133163619
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 94861598
[(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 125049746
1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 133159737

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide (CID 133163634) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide is COc1cccc(N(C)C(=O)C2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)c1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is NDTCGRPOOFNBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O5S/c1-23(17-7-4-8-18(13-17)28-2)21(25)15-6-5-11-24(14-15)30(26,27)20-12-16(22)9-10-19(20)29-3/h4,7-10,12-13,15H,5-6,11,14H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 133163634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).