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

C21H28N2O5S — CID 30167382

IUPAC(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOC)cc1
InChIInChI=1S/C21H28N2O5S/c1-3-28-18-10-12-19(13-11-18)29(25,26)23-20(16-17-8-5-4-6-9-17)21(24)22-14-7-15-27-2/h4-6,8-13,20,23H,3,7,14-16H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyMKDIQFCAISUCSX-FQEVSTJZSA-N
MW420.53 g/mol
LogP2.13
Rot. Bonds12

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

(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide (PubChem CID 30167382) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
PubChem CID30167382
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOC)cc1
InChIInChI=1S/C21H28N2O5S/c1-3-28-18-10-12-19(13-11-18)29(25,26)23-20(16-17-8-5-4-6-9-17)21(24)22-14-7-15-27-2/h4-6,8-13,20,23H,3,7,14-16H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyMKDIQFCAISUCSX-FQEVSTJZSA-N
XLogP2.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43871187
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 30167342
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
CID 30167351
(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
(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 30167436
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 30167679
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide (CID 30167382) is (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOC)cc1.
What is the InChIKey of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide?
The InChIKey is MKDIQFCAISUCSX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-3-28-18-10-12-19(13-11-18)29(25,26)23-20(16-17-8-5-4-6-9-17)21(24)22-14-7-15-27-2/h4-6,8-13,20,23H,3,7,14-16H2,1-2H3,(H,22,24)/t20-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide?
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide has a molecular weight of 420.53 g/mol, XLogP of 2.13, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 30167382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).