N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide

C25H39N3O4S — CID 146503469

IUPACN-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(CC2CCCCC2)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C25H39N3O4S/c1-25(2,3)28-33(31,32)21-15-13-20(14-16-21)26-24(30)22(17-18-9-5-4-6-10-18)27-23(29)19-11-7-8-12-19/h13-16,18-19,22,28H,4-12,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyMOERWUUPSCGGIL-UHFFFAOYSA-N
MW477.67 g/mol
LogP4.35
Rot. Bonds8

About N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 146503469) has the molecular formula C25H39N3O4S and a molecular weight of 477.67 g/mol. Its IUPAC name is N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID146503469
Molecular FormulaC25H39N3O4S
Molecular Weight477.67 g/mol
Exact Mass477.27
IUPAC NameN-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(CC2CCCCC2)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C25H39N3O4S/c1-25(2,3)28-33(31,32)21-15-13-20(14-16-21)26-24(30)22(17-18-9-5-4-6-10-18)27-23(29)19-11-7-8-12-19/h13-16,18-19,22,28H,4-12,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyMOERWUUPSCGGIL-UHFFFAOYSA-N
XLogP4.35
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.67
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 146503433
N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 146503437
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-piperidin-4-ylpropan-2-yl]-4-fluorobenzamide
CID 174206735
(2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435019
N-[4-(tert-butylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 1295481
4-fluoro-N-[(2S)-1-[4-[(4-hydroxy-2-methylbutan-2-yl)sulfamoyl]anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]benzamide
CID 165122442
N-[4-(tert-butylsulfamoyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224431
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
N-[4-(benzylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 2987452
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699
5-fluoro-N-[(2S)-3-(oxan-4-yl)-1-oxo-1-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]anilino]propan-2-yl]pyridine-2-carboxamide
CID 176733580
(2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435061

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 146503469) is N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(CC2CCCCC2)NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is MOERWUUPSCGGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O4S/c1-25(2,3)28-33(31,32)21-15-13-20(14-16-21)26-24(30)22(17-18-9-5-4-6-10-18)27-23(29)19-11-7-8-12-19/h13-16,18-19,22,28H,4-12,17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 477.67 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 146503469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).