N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide

C19H29NO3S — CID 18325695

IUPACN-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide
SMILESCCC(=O)N(C1CCCCC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H29NO3S/c1-5-18(21)20(16-9-7-6-8-10-16)24(22,23)17-13-11-15(12-14-17)19(2,3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyMFIHEIDLMCTCDR-UHFFFAOYSA-N
MW351.51 g/mol
LogP4.24
Rot. Bonds4

About N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide

N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide (PubChem CID 18325695) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide
PubChem CID18325695
Molecular FormulaC19H29NO3S
Molecular Weight351.51 g/mol
Exact Mass351.19
IUPAC NameN-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide
SMILESCCC(=O)N(C1CCCCC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H29NO3S/c1-5-18(21)20(16-9-7-6-8-10-16)24(22,23)17-13-11-15(12-14-17)19(2,3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyMFIHEIDLMCTCDR-UHFFFAOYSA-N
XLogP4.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylphenyl)sulfonyl-(4-methylcyclohexyl)amino]-N,N-diethylacetamide
CID 10251689
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid
CID 154782398
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 4001346
N-cyclohexyl-N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55327533
benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
CID 100967511
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43107449
ethyl (2R)-1-(4-tert-butylphenyl)sulfonylpiperidine-2-carboxylate
CID 52505893

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide?
The IUPAC name of N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide (CID 18325695) is N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide?
The canonical SMILES for N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide is CCC(=O)N(C1CCCCC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide?
The InChIKey is MFIHEIDLMCTCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3S/c1-5-18(21)20(16-9-7-6-8-10-16)24(22,23)17-13-11-15(12-14-17)19(2,3)4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide?
N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide has a molecular weight of 351.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)sulfonyl-N-cyclohexylpropanamide is sourced from PubChem (CID 18325695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).