N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide

C16H24N2O3S — CID 974010

IUPACN-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-18(12-16(19)17-14-6-4-5-7-14)22(20,21)15-10-8-13(2)9-11-15/h8-11,14H,3-7,12H2,1-2H3,(H,17,19)
InChIKeyBKLRYSAYQMEZLZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.06
Rot. Bonds6

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

N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 974010) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID974010
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-18(12-16(19)17-14-6-4-5-7-14)22(20,21)15-10-8-13(2)9-11-15/h8-11,14H,3-7,12H2,1-2H3,(H,17,19)
InChIKeyBKLRYSAYQMEZLZ-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide (CID 974010) is N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide is CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is BKLRYSAYQMEZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-18(12-16(19)17-14-6-4-5-7-14)22(20,21)15-10-8-13(2)9-11-15/h8-11,14H,3-7,12H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 324.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 974010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).