1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide

C18H27ClN2O5S — CID 7248375

IUPAC1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)COC)CC1
InChIInChI=1S/C18H27ClN2O5S/c1-4-26-16-6-5-15(19)11-17(16)27(23,24)21-9-7-14(8-10-21)18(22)20-13(2)12-25-3/h5-6,11,13-14H,4,7-10,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyCYPOOIXZNOIRSZ-ZDUSSCGKSA-N
MW418.94 g/mol
LogP2.29
Rot. Bonds8

About 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide

1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide (PubChem CID 7248375) has the molecular formula C18H27ClN2O5S and a molecular weight of 418.94 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
PubChem CID7248375
Molecular FormulaC18H27ClN2O5S
Molecular Weight418.94 g/mol
Exact Mass418.13
IUPAC Name1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)COC)CC1
InChIInChI=1S/C18H27ClN2O5S/c1-4-26-16-6-5-15(19)11-17(16)27(23,24)21-9-7-14(8-10-21)18(22)20-13(2)12-25-3/h5-6,11,13-14H,4,7-10,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyCYPOOIXZNOIRSZ-ZDUSSCGKSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.94
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide
CID 9003840
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(1S)-1-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 28551537
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002889
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 6492332
(3S)-N-[(2R)-butan-2-yl]-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9003818
(3R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-3-carboxamide
CID 7457807
1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 3161705
N-[1-(3-bromophenyl)ethyl]-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 43873121
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 28550390
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874930
N-(1-methoxypropan-2-yl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 51144176

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide (CID 7248375) is 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide is CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)COC)CC1.
What is the InChIKey of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
The InChIKey is CYPOOIXZNOIRSZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27ClN2O5S/c1-4-26-16-6-5-15(19)11-17(16)27(23,24)21-9-7-14(8-10-21)18(22)20-13(2)12-25-3/h5-6,11,13-14H,4,7-10,12H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide?
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide has a molecular weight of 418.94 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 7248375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).