N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

C24H32N2O4S2 — CID 100592644

IUPACN-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H32N2O4S2/c1-5-22(19-6-11-23(30-3)17(2)16-19)25-24(27)18-12-14-26(15-13-18)32(28,29)21-9-7-20(31-4)8-10-21/h6-11,16,18,22H,5,12-15H2,1-4H3,(H,25,27)/t22-/m1/s1
InChIKeyOOJNAKMHLJKRHW-JOCHJYFZSA-N
MW476.66 g/mol
LogP4.39
Rot. Bonds8

About N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 100592644) has the molecular formula C24H32N2O4S2 and a molecular weight of 476.66 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID100592644
Molecular FormulaC24H32N2O4S2
Molecular Weight476.66 g/mol
Exact Mass476.18
IUPAC NameN-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H32N2O4S2/c1-5-22(19-6-11-23(30-3)17(2)16-19)25-24(27)18-12-14-26(15-13-18)32(28,29)21-9-7-20(31-4)8-10-21/h6-11,16,18,22H,5,12-15H2,1-4H3,(H,25,27)/t22-/m1/s1
InChIKeyOOJNAKMHLJKRHW-JOCHJYFZSA-N
XLogP4.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167146
(3S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125057960
N-[(2S)-butan-2-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092912
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100683262
1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
CID 133184823
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
CID 43873075
(3S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95877813
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133184802
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
CID 100730031
(3S)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 125075665
1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
CID 133191833
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680604

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (CID 100592644) is N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OOJNAKMHLJKRHW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O4S2/c1-5-22(19-6-11-23(30-3)17(2)16-19)25-24(27)18-12-14-26(15-13-18)32(28,29)21-9-7-20(31-4)8-10-21/h6-11,16,18,22H,5,12-15H2,1-4H3,(H,25,27)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 476.66 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100592644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).