3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

C24H33N3O5S — CID 25162564

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(OC)cc2)N2CCCC2)cc1
InChIInChI=1S/C24H33N3O5S/c1-3-32-21-10-12-22(13-11-21)33(29,30)26-15-14-24(28)25-18-23(27-16-4-5-17-27)19-6-8-20(31-2)9-7-19/h6-13,23,26H,3-5,14-18H2,1-2H3,(H,25,28)
InChIKeyWRILWZNSNIWCPH-UHFFFAOYSA-N
MW475.61 g/mol
LogP2.72
Rot. Bonds12

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 25162564) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID25162564
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(OC)cc2)N2CCCC2)cc1
InChIInChI=1S/C24H33N3O5S/c1-3-32-21-10-12-22(13-11-21)33(29,30)26-15-14-24(28)25-18-23(27-16-4-5-17-27)19-6-8-20(31-2)9-7-19/h6-13,23,26H,3-5,14-18H2,1-2H3,(H,25,28)
InChIKeyWRILWZNSNIWCPH-UHFFFAOYSA-N
XLogP2.72
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 25162564) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(OC)cc2)N2CCCC2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is WRILWZNSNIWCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-3-32-21-10-12-22(13-11-21)33(29,30)26-15-14-24(28)25-18-23(27-16-4-5-17-27)19-6-8-20(31-2)9-7-19/h6-13,23,26H,3-5,14-18H2,1-2H3,(H,25,28).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 475.61 g/mol, XLogP of 2.72, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 25162564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).