2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide

C19H30N2O4S — CID 5122714

IUPAC2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(CO)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-19(2,3)14-9-11-16(12-10-14)26(24,25)21-17(13-22)18(23)20-15-7-5-4-6-8-15/h9-12,15,17,21-22H,4-8,13H2,1-3H3,(H,20,23)
InChIKeyDMOHSBSTEPCCPD-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.07
Rot. Bonds6

About 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide

2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide (PubChem CID 5122714) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide
PubChem CID5122714
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(CO)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-19(2,3)14-9-11-16(12-10-14)26(24,25)21-17(13-22)18(23)20-15-7-5-4-6-8-15/h9-12,15,17,21-22H,4-8,13H2,1-3H3,(H,20,23)
InChIKeyDMOHSBSTEPCCPD-UHFFFAOYSA-N
XLogP2.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
CID 78862058
(2S)-N-cyclooctyl-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541243
(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724357
2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide
CID 67698595
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933793
2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 2955440
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide?
The IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide (CID 5122714) is 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide is CC(C)(C)c1ccc(S(=O)(=O)NC(CO)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide?
The InChIKey is DMOHSBSTEPCCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-19(2,3)14-9-11-16(12-10-14)26(24,25)21-17(13-22)18(23)20-15-7-5-4-6-8-15/h9-12,15,17,21-22H,4-8,13H2,1-3H3,(H,20,23).
What are the key properties of 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide?
2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide has a molecular weight of 382.53 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide is sourced from PubChem (CID 5122714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).