N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide

C17H25NO3S — CID 46485032

IUPACN-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC1CCC(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)CC1
InChIInChI=1S/C17H25NO3S/c1-12(2)22(20,21)16-10-6-14(7-11-16)17(19)18-15-8-4-13(3)5-9-15/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyXZPGZHAFQBUJKX-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.18
Rot. Bonds4

About N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide

N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide (PubChem CID 46485032) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide
PubChem CID46485032
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC1CCC(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)CC1
InChIInChI=1S/C17H25NO3S/c1-12(2)22(20,21)16-10-6-14(7-11-16)17(19)18-15-8-4-13(3)5-9-15/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyXZPGZHAFQBUJKX-UHFFFAOYSA-N
XLogP3.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxycyclobutyl)-4-propan-2-ylsulfonylbenzamide
CID 136582744
4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide
CID 39032121
4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
CID 43333286
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
4-propan-2-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51955051
4-(cyclopropylsulfamoyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 55662861
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
CID 55945588
4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387742
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide (CID 46485032) is N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide is CC1CCC(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide?
The InChIKey is XZPGZHAFQBUJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-12(2)22(20,21)16-10-6-14(7-11-16)17(19)18-15-8-4-13(3)5-9-15/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide?
N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide has a molecular weight of 323.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 46485032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).