1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide

C18H27N3O5S — CID 95186261

IUPAC1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1N([C@H](C)C(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O
InChIInChI=1S/C18H27N3O5S/c1-12-5-6-16(26-3)15(11-12)21(27(4,24)25)13(2)18(23)20-9-7-14(8-10-20)17(19)22/h5-6,11,13-14H,7-10H2,1-4H3,(H2,19,22)/t13-/m1/s1
InChIKeyKEEMCRIQIOQTOE-CYBMUJFWSA-N
MW397.50 g/mol
LogP0.88
Rot. Bonds6

About 1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide

1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide (PubChem CID 95186261) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
PubChem CID95186261
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1N([C@H](C)C(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O
InChIInChI=1S/C18H27N3O5S/c1-12-5-6-16(26-3)15(11-12)21(27(4,24)25)13(2)18(23)20-9-7-14(8-10-20)17(19)22/h5-6,11,13-14H,7-10H2,1-4H3,(H2,19,22)/t13-/m1/s1
InChIKeyKEEMCRIQIOQTOE-CYBMUJFWSA-N
XLogP0.88
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 50946275
1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 8991567
N-(2-methoxy-5-methylphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95119201
1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95119036
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-methoxy-5-methylphenyl)methanesulfonamide
CID 132673624
N-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 98054106
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118554
1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95195755
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118793
ethyl 4-[2-(3,4-dimethoxy-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate
CID 132672880
ethyl 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate
CID 2980911
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125072461

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide (CID 95186261) is 1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide is COc1ccc(C)cc1N([C@H](C)C(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O.
What is the InChIKey of 1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The InChIKey is KEEMCRIQIOQTOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-12-5-6-16(26-3)15(11-12)21(27(4,24)25)13(2)18(23)20-9-7-14(8-10-20)17(19)22/h5-6,11,13-14H,7-10H2,1-4H3,(H2,19,22)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 95186261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).