N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide

C20H25NO3S — CID 43041762

IUPACN-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
SMILESCCCOc1ccc(OCCSC(C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H25NO3S/c1-3-13-23-18-9-11-19(12-10-18)24-14-15-25-16(2)20(22)21-17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3,(H,21,22)
InChIKeyUUGXBQNLBUQEAT-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.61
Rot. Bonds10

About N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide

N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide (PubChem CID 43041762) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide.

Molecular Properties

Compound NameN-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
PubChem CID43041762
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
SMILESCCCOc1ccc(OCCSC(C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H25NO3S/c1-3-13-23-18-9-11-19(12-10-18)24-14-15-25-16(2)20(22)21-17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3,(H,21,22)
InChIKeyUUGXBQNLBUQEAT-UHFFFAOYSA-N
XLogP4.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542148
2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542147
2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84603220
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenoxyethylsulfanyl)propanamide
CID 32513261
2,3-dimethyl-4-oxo-4-(4-propoxyanilino)butanoic acid
CID 103498262
(1-anilino-1-oxopropan-2-yl) 4-hexoxybenzoate
CID 5078511
(2S)-2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26632928
(E)-4-[4-[1-(4-butoxyanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786084
(2R)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731528
(2S)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731527
2-amino-4-methyl-N-(4-propoxyphenyl)pentanamide
CID 62329193

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
The IUPAC name of N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide (CID 43041762) is N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide.
What is the SMILES notation for N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
The canonical SMILES for N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide is CCCOc1ccc(OCCSC(C)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
The InChIKey is UUGXBQNLBUQEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-3-13-23-18-9-11-19(12-10-18)24-14-15-25-16(2)20(22)21-17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3,(H,21,22).
What are the key properties of N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide has a molecular weight of 359.49 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide is sourced from PubChem (CID 43041762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).