N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide

C16H24N2O3S2 — CID 2228090

IUPACN-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCSC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3S2/c1-23(20,21)18-14-9-7-13(8-10-14)16(19)17-11-12-22-15-5-3-2-4-6-15/h7-10,15,18H,2-6,11-12H2,1H3,(H,17,19)
InChIKeyMCBJJCLCIRZPQZ-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.85
Rot. Bonds7

About N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide

N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide (PubChem CID 2228090) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide
PubChem CID2228090
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC NameN-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCSC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3S2/c1-23(20,21)18-14-9-7-13(8-10-14)16(19)17-11-12-22-15-5-3-2-4-6-15/h7-10,15,18H,2-6,11-12H2,1H3,(H,17,19)
InChIKeyMCBJJCLCIRZPQZ-UHFFFAOYSA-N
XLogP2.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide (CID 2228090) is N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCCSC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide?
The InChIKey is MCBJJCLCIRZPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-23(20,21)18-14-9-7-13(8-10-14)16(19)17-11-12-22-15-5-3-2-4-6-15/h7-10,15,18H,2-6,11-12H2,1H3,(H,17,19).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide?
N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide has a molecular weight of 356.51 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 2228090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).