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

C16H24N2O3S — CID 894193

IUPACN-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-8-10-15(11-9-13)22(20,21)17-12-16(19)18-14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3,(H,18,19)
InChIKeyBMJOYUQOQWGHEG-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.11
Rot. Bonds5

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

N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 894193) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID894193
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-8-10-15(11-9-13)22(20,21)17-12-16(19)18-14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3,(H,18,19)
InChIKeyBMJOYUQOQWGHEG-UHFFFAOYSA-N
XLogP2.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 894193) is N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is BMJOYUQOQWGHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-8-10-15(11-9-13)22(20,21)17-12-16(19)18-14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3,(H,18,19).
What are the key properties of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 324.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 894193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).