3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide

C20H26N2O4S2 — CID 24979551

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-2-26-17-9-11-19(12-10-17)28(24,25)22-15-13-20(23)21-14-6-16-27-18-7-4-3-5-8-18/h3-5,7-12,22H,2,6,13-16H2,1H3,(H,21,23)
InChIKeyAMOHRHSXVBWRBX-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.05
Rot. Bonds12

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide (PubChem CID 24979551) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide
PubChem CID24979551
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-2-26-17-9-11-19(12-10-17)28(24,25)22-15-13-20(23)21-14-6-16-27-18-7-4-3-5-8-18/h3-5,7-12,22H,2,6,13-16H2,1H3,(H,21,23)
InChIKeyAMOHRHSXVBWRBX-UHFFFAOYSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.05
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

4-(2-(Phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide
CID 6603828
N-[6-oxo-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidin-1-yl]hexyl]acetamide
CID 46175162
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
2-Ethylamino-N-hydroxy-2-methyl-3-(4-phenoxy-benzenesulfonyl)-propionamide
CID 21130559
(3R)-1-hydroxy-3-[(4-phenoxyphenyl)sulfonylmethyl]-1,4-diazepan-2-one
CID 44455676
4-ethoxy-N-[2-(phenylthio)ethyl]benzenesulfonamide
CID 2197793
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 3318735
2-[4-[4-[2-oxo-2-(pentan-2-ylamino)ethoxy]phenyl]sulfonylphenoxy]-N-pentan-2-ylacetamide
CID 3359218
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 24979967
(S)-N-Hydroxy-2-methylamino-3-(4-phenoxy-benzenesulfonyl)-propionamide
CID 44324646
(S)-2-(Acetyl-methyl-amino)-N-hydroxy-3-(4-phenoxy-benzenesulfonyl)-propionamide
CID 44325234
[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] N-propylcarbamate
CID 72714334

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide (CID 24979551) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCCCSc2ccccc2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide?
The InChIKey is AMOHRHSXVBWRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-2-26-17-9-11-19(12-10-17)28(24,25)22-15-13-20(23)21-14-6-16-27-18-7-4-3-5-8-18/h3-5,7-12,22H,2,6,13-16H2,1H3,(H,21,23).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide has a molecular weight of 422.57 g/mol, XLogP of 3.05, 12 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-(3-phenylsulfanylpropyl)propanamide is sourced from PubChem (CID 24979551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).