4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide

C19H30N2O3S — CID 7918659

IUPAC4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-19(2,3)15-8-6-14(7-9-15)18(22)20-16-10-12-17(13-11-16)25(23,24)21(4)5/h10-15H,6-9H2,1-5H3,(H,20,22)
InChIKeyJPZQTSATVVNXBO-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.73
Rot. Bonds4

About 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide

4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 7918659) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide
PubChem CID7918659
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-19(2,3)15-8-6-14(7-9-15)18(22)20-16-10-12-17(13-11-16)25(23,24)21(4)5/h10-15H,6-9H2,1-5H3,(H,20,22)
InChIKeyJPZQTSATVVNXBO-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3947885
N-[5-[[4-(dimethylsulfamoyl)phenyl]sulfonylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 126817552
N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
CID 130404848
4-(cyclopropanecarbonylamino)benzenesulfonyl chloride
CID 16774559
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 3513683
N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 61252070
N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
CID 9394899
N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide
CID 110778740
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide (CID 7918659) is 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is JPZQTSATVVNXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-19(2,3)15-8-6-14(7-9-15)18(22)20-16-10-12-17(13-11-16)25(23,24)21(4)5/h10-15H,6-9H2,1-5H3,(H,20,22).
What are the key properties of 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 7918659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).