3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide

C22H27NO4S — CID 58188299

IUPAC3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(S(=O)(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C22H27NO4S/c1-15-7-9-17(10-8-15)18-11-19(22(25)23-16(2)14-24)13-21(12-18)28(26,27)20-5-3-4-6-20/h7-13,16,20,24H,3-6,14H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyONFZNAMUXGRAMA-INIZCTEOSA-N
MW401.53 g/mol
LogP3.49
Rot. Bonds6

About 3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide

3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide (PubChem CID 58188299) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide
PubChem CID58188299
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC Name3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(S(=O)(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C22H27NO4S/c1-15-7-9-17(10-8-15)18-11-19(22(25)23-16(2)14-24)13-21(12-18)28(26,27)20-5-3-4-6-20/h7-13,16,20,24H,3-6,14H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyONFZNAMUXGRAMA-INIZCTEOSA-N
XLogP3.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 91300009
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
3-(3-cyclopentylprop-2-enylsulfonyl)-5-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 175286106
2-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-1-ol
CID 86790070
3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-methylsulfonylbenzamide
CID 67053786
3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 124560386
3-[5-[(1S)-1-(dimethylamino)ethyl]-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 91196234
N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide
CID 90759463
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120651710
3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide (CID 58188299) is 3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(S(=O)(=O)C3CCCC3)c2)cc1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide?
The InChIKey is ONFZNAMUXGRAMA-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27NO4S/c1-15-7-9-17(10-8-15)18-11-19(22(25)23-16(2)14-24)13-21(12-18)28(26,27)20-5-3-4-6-20/h7-13,16,20,24H,3-6,14H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide?
3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide has a molecular weight of 401.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide is sourced from PubChem (CID 58188299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).