1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide

C17H24ClN3O5S — CID 8991567

IUPAC1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O
InChIInChI=1S/C17H24ClN3O5S/c1-11(17(23)20-8-6-12(7-9-20)16(19)22)21(27(3,24)25)14-10-13(18)4-5-15(14)26-2/h4-5,10-12H,6-9H2,1-3H3,(H2,19,22)/t11-/m0/s1
InChIKeyJJOYQUXUTRCBER-NSHDSACASA-N
MW417.92 g/mol
LogP1.23
Rot. Bonds6

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

1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide (PubChem CID 8991567) has the molecular formula C17H24ClN3O5S and a molecular weight of 417.92 g/mol. Its IUPAC name is 1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
PubChem CID8991567
Molecular FormulaC17H24ClN3O5S
Molecular Weight417.92 g/mol
Exact Mass417.11
IUPAC Name1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O
InChIInChI=1S/C17H24ClN3O5S/c1-11(17(23)20-8-6-12(7-9-20)16(19)22)21(27(3,24)25)14-10-13(18)4-5-15(14)26-2/h4-5,10-12H,6-9H2,1-3H3,(H2,19,22)/t11-/m0/s1
InChIKeyJJOYQUXUTRCBER-NSHDSACASA-N
XLogP1.23
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95186261
N-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 98054106
N-(5-chloro-2-methoxyphenyl)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 8991549
N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 50946275
N-(2-methoxy-5-methylphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95119201
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 6464021
1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95119036
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
CID 124561251
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
(2R)-N-tert-butyl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanamide
CID 124561278

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide (CID 8991567) is 1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide is COc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O.
What is the InChIKey of 1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The InChIKey is JJOYQUXUTRCBER-NSHDSACASA-N. The full InChI is InChI=1S/C17H24ClN3O5S/c1-11(17(23)20-8-6-12(7-9-20)16(19)22)21(27(3,24)25)14-10-13(18)4-5-15(14)26-2/h4-5,10-12H,6-9H2,1-3H3,(H2,19,22)/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 8991567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).