N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide

C25H28N2O5S — CID 43891489

IUPACN-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-3-31-21-12-10-20(11-13-21)26-25(28)24(18-19-8-6-5-7-9-19)27-33(29,30)23-16-14-22(15-17-23)32-4-2/h5-17,24,27H,3-4,18H2,1-2H3,(H,26,28)
InChIKeyPWYIQUWKLFNPLA-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.01
Rot. Bonds11

About N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide

N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891489) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891489
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-3-31-21-12-10-20(11-13-21)26-25(28)24(18-19-8-6-5-7-9-19)27-33(29,30)23-16-14-22(15-17-23)32-4-2/h5-17,24,27H,3-4,18H2,1-2H3,(H,26,28)
InChIKeyPWYIQUWKLFNPLA-UHFFFAOYSA-N
XLogP4.01
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891461
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 30167679
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
N-(3,5-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891475
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891448
N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891469
dimethyl 5-[[(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94862963
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891417
2-[(4-ethoxyphenyl)sulfonylamino]-N-naphthalen-1-yl-3-phenylpropanamide
CID 43891455
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
CID 30167351

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891489) is N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide is CCOc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is PWYIQUWKLFNPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-3-31-21-12-10-20(11-13-21)26-25(28)24(18-19-8-6-5-7-9-19)27-33(29,30)23-16-14-22(15-17-23)32-4-2/h5-17,24,27H,3-4,18H2,1-2H3,(H,26,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 468.58 g/mol, XLogP of 4.01, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).