N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide

C19H30N2O3S2 — CID 24980206

IUPACN-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H30N2O3S2/c1-15-9-11-17(12-10-15)26(23,24)21-18(13-14-25-2)19(22)20-16-7-5-3-4-6-8-16/h9-12,16,18,21H,3-8,13-14H2,1-2H3,(H,20,22)
InChIKeyFWYJLAJBOOMWCU-UHFFFAOYSA-N
MW398.59 g/mol
LogP3.23
Rot. Bonds8

About N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide

N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide (PubChem CID 24980206) has the molecular formula C19H30N2O3S2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
PubChem CID24980206
Molecular FormulaC19H30N2O3S2
Molecular Weight398.59 g/mol
Exact Mass398.17
IUPAC NameN-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H30N2O3S2/c1-15-9-11-17(12-10-15)26(23,24)21-18(13-14-25-2)19(22)20-16-7-5-3-4-6-8-16/h9-12,16,18,21H,3-8,13-14H2,1-2H3,(H,20,22)
InChIKeyFWYJLAJBOOMWCU-UHFFFAOYSA-N
XLogP3.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The IUPAC name of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide (CID 24980206) is N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The InChIKey is FWYJLAJBOOMWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S2/c1-15-9-11-17(12-10-15)26(23,24)21-18(13-14-25-2)19(22)20-16-7-5-3-4-6-8-16/h9-12,16,18,21H,3-8,13-14H2,1-2H3,(H,20,22).
What are the key properties of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide has a molecular weight of 398.59 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 24980206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).