N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide

C25H39N3O5S — CID 146503433

IUPACN-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(CC2CCOCC2)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C25H39N3O5S/c1-25(2,3)28-34(31,32)21-11-9-20(10-12-21)26-24(30)22(17-18-13-15-33-16-14-18)27-23(29)19-7-5-4-6-8-19/h9-12,18-19,22,28H,4-8,13-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyGPZGGNWSUXJSAC-UHFFFAOYSA-N
MW493.67 g/mol
LogP3.58
Rot. Bonds8

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

N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 146503433) has the molecular formula C25H39N3O5S and a molecular weight of 493.67 g/mol. Its IUPAC name is N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID146503433
Molecular FormulaC25H39N3O5S
Molecular Weight493.67 g/mol
Exact Mass493.26
IUPAC NameN-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(CC2CCOCC2)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C25H39N3O5S/c1-25(2,3)28-34(31,32)21-11-9-20(10-12-21)26-24(30)22(17-18-13-15-33-16-14-18)27-23(29)19-7-5-4-6-8-19/h9-12,18-19,22,28H,4-8,13-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyGPZGGNWSUXJSAC-UHFFFAOYSA-N
XLogP3.58
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.67
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 146503469
N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 146503437
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
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
4-fluoro-N-[(2S)-1-[4-[(4-methoxy-2-methylbutan-2-yl)sulfamoyl]anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]benzamide
CID 176733540
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-piperidin-4-ylpropan-2-yl]-4-fluorobenzamide
CID 174206735
4-fluoro-N-[(2S)-3-(1-methylpiperidin-4-yl)-1-[4-(oxan-4-ylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 176733528
N-[4-(tert-butylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 1295481
N-[(2S)-1-[4-(tert-butylsulfamoyl)-2-chloro-5-methoxyanilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 165122401
(2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435019
N-[4-(tert-butylsulfamoyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224431
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 146503433) is N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(CC2CCOCC2)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is GPZGGNWSUXJSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O5S/c1-25(2,3)28-34(31,32)21-11-9-20(10-12-21)26-24(30)22(17-18-13-15-33-16-14-18)27-23(29)19-7-5-4-6-8-19/h9-12,18-19,22,28H,4-8,13-17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 493.67 g/mol, XLogP of 3.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 146503433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).