N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide

C18H26N2O4S — CID 1116699

IUPACN-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
SMILESCC(C)CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-13(2)12-17(21)20-25(23,24)16-10-8-15(9-11-16)19-18(22)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQRLNLSVDNYWQLY-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.06
Rot. Bonds6

About N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide

N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide (PubChem CID 1116699) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
PubChem CID1116699
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
SMILESCC(C)CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-13(2)12-17(21)20-25(23,24)16-10-8-15(9-11-16)19-18(22)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQRLNLSVDNYWQLY-UHFFFAOYSA-N
XLogP3.06
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide
CID 110778740
N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
CID 9394899
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(benzylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 2987452
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
CID 30753597
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
tert-butyl 2-[[4-(cyclohexanecarbonylamino)phenyl]sulfonylamino]acetate
CID 22456406
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide (CID 1116699) is N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide is CC(C)CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide?
The InChIKey is QRLNLSVDNYWQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-13(2)12-17(21)20-25(23,24)16-10-8-15(9-11-16)19-18(22)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide?
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide has a molecular weight of 366.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 1116699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).