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

C26H34ClN3O4S — CID 146503437

IUPACN-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C26H34ClN3O4S/c1-26(2,3)30-35(33,34)22-14-12-21(13-15-22)28-25(32)23(17-18-8-7-11-20(27)16-18)29-24(31)19-9-5-4-6-10-19/h7-8,11-16,19,23,30H,4-6,9-10,17H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyBNZYGEQZZVLUIA-UHFFFAOYSA-N
MW520.10 g/mol
LogP4.66
Rot. Bonds8

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

N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 146503437) has the molecular formula C26H34ClN3O4S and a molecular weight of 520.10 g/mol. Its IUPAC name is N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID146503437
Molecular FormulaC26H34ClN3O4S
Molecular Weight520.10 g/mol
Exact Mass519.20
IUPAC NameN-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C26H34ClN3O4S/c1-26(2,3)30-35(33,34)22-14-12-21(13-15-22)28-25(32)23(17-18-8-7-11-20(27)16-18)29-24(31)19-9-5-4-6-10-19/h7-8,11-16,19,23,30H,4-6,9-10,17H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyBNZYGEQZZVLUIA-UHFFFAOYSA-N
XLogP4.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.10
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(oxan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 146503433
1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
CID 1226693
N-[(2S)-1-[4-(tert-butylamino)sulfanyl-3-fluoroanilino]-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
CID 146546515
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 142474792
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 146544712
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
CID 146503498
N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide
CID 41170779
N-[4-(benzylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 2987452
N-[(2S)-1-[4-(tert-butylamino)sulfanylanilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
CID 146544890
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 42893690
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide
CID 146147261

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 146503437) is N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is BNZYGEQZZVLUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O4S/c1-26(2,3)30-35(33,34)22-14-12-21(13-15-22)28-25(32)23(17-18-8-7-11-20(27)16-18)29-24(31)19-9-5-4-6-10-19/h7-8,11-16,19,23,30H,4-6,9-10,17H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 520.10 g/mol, XLogP of 4.66, 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-(3-chlorophenyl)-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 146503437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).