N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide

C19H28N2O4S — CID 20630370

IUPACN-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-13(22)14-5-9-16(10-6-14)20-18(23)15-7-11-17(12-8-15)21-26(24,25)19(2,3)4/h5-6,9-10,15,17,21H,7-8,11-12H2,1-4H3,(H,20,23)
InChIKeyXRQGQMCCCAFTJM-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.10
Rot. Bonds5

About N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide

N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20630370) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20630370
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-13(22)14-5-9-16(10-6-14)20-18(23)15-7-11-17(12-8-15)21-26(24,25)19(2,3)4/h5-6,9-10,15,17,21H,7-8,11-12H2,1-4H3,(H,20,23)
InChIKeyXRQGQMCCCAFTJM-UHFFFAOYSA-N
XLogP3.10
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 20630688
4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide
CID 20630750
4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 20629671
4-(tert-butylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630310
4-(tert-butylsulfonylamino)-N-[4-(1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide
CID 70792939
4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide
CID 20629923
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
4-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 20630293
4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
CID 20629063
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide (CID 20630370) is N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide is CC(=O)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is XRQGQMCCCAFTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-13(22)14-5-9-16(10-6-14)20-18(23)15-7-11-17(12-8-15)21-26(24,25)19(2,3)4/h5-6,9-10,15,17,21H,7-8,11-12H2,1-4H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide?
N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20630370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).