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

C21H31N3O5S — CID 648692

IUPACN-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)C2CCCC2)cc1
InChIInChI=1S/C21H31N3O5S/c1-16-8-10-19(11-9-16)30(27,28)23-14-21(26)24(17-5-2-3-6-17)15-20(25)22-13-18-7-4-12-29-18/h8-11,17-18,23H,2-7,12-15H2,1H3,(H,22,25)
InChIKeyFDRSAIQABKIHNT-UHFFFAOYSA-N
MW437.56 g/mol
LogP1.34
Rot. Bonds9

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

N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 648692) has the molecular formula C21H31N3O5S and a molecular weight of 437.56 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID648692
Molecular FormulaC21H31N3O5S
Molecular Weight437.56 g/mol
Exact Mass437.20
IUPAC NameN-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)C2CCCC2)cc1
InChIInChI=1S/C21H31N3O5S/c1-16-8-10-19(11-9-16)30(27,28)23-14-21(26)24(17-5-2-3-6-17)15-20(25)22-13-18-7-4-12-29-18/h8-11,17-18,23H,2-7,12-15H2,1H3,(H,22,25)
InChIKeyFDRSAIQABKIHNT-UHFFFAOYSA-N
XLogP1.34
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 648692) is N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is FDRSAIQABKIHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O5S/c1-16-8-10-19(11-9-16)30(27,28)23-14-21(26)24(17-5-2-3-6-17)15-20(25)22-13-18-7-4-12-29-18/h8-11,17-18,23H,2-7,12-15H2,1H3,(H,22,25).
What are the key properties of N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 437.56 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 648692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).