N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide

C16H24N2O4S — CID 6461424

IUPACN-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-22-14-8-10-15(11-9-14)23(20,21)18-12(2)16(19)17-13-6-4-5-7-13/h8-13,18H,3-7H2,1-2H3,(H,17,19)
InChIKeyXQLFDSHKBICRCS-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.81
Rot. Bonds7

About N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 6461424) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID6461424
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-22-14-8-10-15(11-9-14)23(20,21)18-12(2)16(19)17-13-6-4-5-7-13/h8-13,18H,3-7H2,1-2H3,(H,17,19)
InChIKeyXQLFDSHKBICRCS-UHFFFAOYSA-N
XLogP1.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 6461424) is N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NC(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is XQLFDSHKBICRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-22-14-8-10-15(11-9-14)23(20,21)18-12(2)16(19)17-13-6-4-5-7-13/h8-13,18H,3-7H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 340.45 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 6461424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).