3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide

C15H21NO4S — CID 94909077

IUPAC3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide
SMILESC[C@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)C1CC1
InChIInChI=1S/C15H21NO4S/c1-15(18,12-7-8-12)11-16-14(17)9-10-21(19,20)13-5-3-2-4-6-13/h2-6,12,18H,7-11H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyPUJSUBCKJGMCHD-HNNXBMFYSA-N
MW311.40 g/mol
LogP1.13
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide

3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide (PubChem CID 94909077) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide
PubChem CID94909077
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide
SMILESC[C@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)C1CC1
InChIInChI=1S/C15H21NO4S/c1-15(18,12-7-8-12)11-16-14(17)9-10-21(19,20)13-5-3-2-4-6-13/h2-6,12,18H,7-11H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyPUJSUBCKJGMCHD-HNNXBMFYSA-N
XLogP1.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781987
3-(benzenesulfonyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]propanamide
CID 95376514
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
CID 9295458
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049
3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740
[2-[[3-(benzenesulfonyl)propanoylamino]methyl]phenyl]methyl-diethylazanium
CID 9073381
1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one
CID 110294965
3-(benzenesulfonyl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62521376

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide (CID 94909077) is 3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide is C[C@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)C1CC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide?
The InChIKey is PUJSUBCKJGMCHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-15(18,12-7-8-12)11-16-14(17)9-10-21(19,20)13-5-3-2-4-6-13/h2-6,12,18H,7-11H2,1H3,(H,16,17)/t15-/m0/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide?
3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide has a molecular weight of 311.40 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide is sourced from PubChem (CID 94909077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).