3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

C27H31N3O4S — CID 25472628

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)c2)cc1
InChIInChI=1S/C27H31N3O4S/c1-2-34-24-13-15-25(16-14-24)35(32,33)29-23-12-8-11-22(19-23)27(31)28-20-26(30-17-6-7-18-30)21-9-4-3-5-10-21/h3-5,8-16,19,26,29H,2,6-7,17-18,20H2,1H3,(H,28,31)/t26-/m1/s1
InChIKeyFGARALGVTAZYHN-AREMUKBSSA-N
MW493.63 g/mol
LogP4.45
Rot. Bonds10

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

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 25472628) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID25472628
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)c2)cc1
InChIInChI=1S/C27H31N3O4S/c1-2-34-24-13-15-25(16-14-24)35(32,33)29-23-12-8-11-22(19-23)27(31)28-20-26(30-17-6-7-18-30)21-9-4-3-5-10-21/h3-5,8-16,19,26,29H,2,6-7,17-18,20H2,1H3,(H,28,31)/t26-/m1/s1
InChIKeyFGARALGVTAZYHN-AREMUKBSSA-N
XLogP4.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 93472978
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 25331234
4-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 134017270
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 25335595
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55462512
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 43017221
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35672261
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660110
3-[(4-fluorophenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27771815

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (CID 25472628) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is FGARALGVTAZYHN-AREMUKBSSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-2-34-24-13-15-25(16-14-24)35(32,33)29-23-12-8-11-22(19-23)27(31)28-20-26(30-17-6-7-18-30)21-9-4-3-5-10-21/h3-5,8-16,19,26,29H,2,6-7,17-18,20H2,1H3,(H,28,31)/t26-/m1/s1.
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 493.63 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 25472628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).