(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide

C16H23ClN2O3S — CID 92660341

IUPAC(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-3-14-6-4-5-11-19(14)23(21,22)15-9-7-13(8-10-15)18-16(20)12(2)17/h7-10,12,14H,3-6,11H2,1-2H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyNCRLPBNZTPXJTM-OCCSQVGLSA-N
MW358.89 g/mol
LogP3.21
Rot. Bonds5

About (2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide

(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide (PubChem CID 92660341) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is (2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
PubChem CID92660341
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-3-14-6-4-5-11-19(14)23(21,22)15-9-7-13(8-10-15)18-16(20)12(2)17/h7-10,12,14H,3-6,11H2,1-2H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyNCRLPBNZTPXJTM-OCCSQVGLSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
CID 17256826
ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
CID 7369009
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658
(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2369628
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide
CID 7116550
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide (CID 92660341) is (2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide is CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1.
What is the InChIKey of (2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is NCRLPBNZTPXJTM-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-3-14-6-4-5-11-19(14)23(21,22)15-9-7-13(8-10-15)18-16(20)12(2)17/h7-10,12,14H,3-6,11H2,1-2H3,(H,18,20)/t12-,14+/m1/s1.
What are the key properties of (2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide?
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 358.89 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 92660341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).