(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide

C20H24N2O2S — CID 120630872

IUPAC(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(Sc2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-14-13-15(11-12-21-14)20(23)22-16-3-7-18(8-4-16)25-19-9-5-17(24-2)6-10-19/h3-10,14-15,21H,11-13H2,1-2H3,(H,22,23)/t14-,15-/m0/s1
InChIKeyVYPJLSAOKPLCBX-GJZGRUSLSA-N
MW356.49 g/mol
LogP4.17
Rot. Bonds5

About (2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120630872) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120630872
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(Sc2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-14-13-15(11-12-21-14)20(23)22-16-3-7-18(8-4-16)25-19-9-5-17(24-2)6-10-19/h3-10,14-15,21H,11-13H2,1-2H3,(H,22,23)/t14-,15-/m0/s1
InChIKeyVYPJLSAOKPLCBX-GJZGRUSLSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119317934
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120625991
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624355
(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 120631270
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide (CID 120630872) is (2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide is COc1ccc(Sc2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cc2)cc1.
What is the InChIKey of (2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is VYPJLSAOKPLCBX-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14-13-15(11-12-21-14)20(23)22-16-3-7-18(8-4-16)25-19-9-5-17(24-2)6-10-19/h3-10,14-15,21H,11-13H2,1-2H3,(H,22,23)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120630872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).