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

C24H33N3O5S — CID 27771241

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](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)/t23-/m1/s1
InChIKeyWRILWZNSNIWCPH-HSZRJFAPSA-N
MW475.61 g/mol
LogP2.72
Rot. Bonds12

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

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 27771241) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID27771241
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](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)/t23-/m1/s1
InChIKeyWRILWZNSNIWCPH-HSZRJFAPSA-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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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 42905295
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24819717
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 25163879
4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 55328450
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 110353409
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
4-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42929558
4-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 134017270
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-fluorobenzenesulfonamide
CID 112503479

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 27771241) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is WRILWZNSNIWCPH-HSZRJFAPSA-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)/t23-/m1/s1.
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-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-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 27771241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).