N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide

C16H24N2O3S — CID 678834

IUPACN-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-7-9-15(10-8-13)22(20,21)17-12-11-16(19)18-14-5-3-2-4-6-14/h7-10,14,17H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyWAMLZCSGNRFPHO-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.11
Rot. Bonds6

About N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide

N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 678834) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID678834
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-7-9-15(10-8-13)22(20,21)17-12-11-16(19)18-14-5-3-2-4-6-14/h7-10,14,17H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyWAMLZCSGNRFPHO-UHFFFAOYSA-N
XLogP2.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 678834) is N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is WAMLZCSGNRFPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-7-9-15(10-8-13)22(20,21)17-12-11-16(19)18-14-5-3-2-4-6-14/h7-10,14,17H,2-6,11-12H2,1H3,(H,18,19).
What are the key properties of N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 324.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 678834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).