2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide

C20H25N3O2S — CID 40689481

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCCCN(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2S/c1-16(24)22-17-9-11-19(12-10-17)26-15-20(25)21-13-6-14-23(2)18-7-4-3-5-8-18/h3-5,7-12H,6,13-15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyFYXGDODBOQAOQL-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.38
Rot. Bonds9

About 2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide (PubChem CID 40689481) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
PubChem CID40689481
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCCCN(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2S/c1-16(24)22-17-9-11-19(12-10-17)26-15-20(25)21-13-6-14-23(2)18-7-4-3-5-8-18/h3-5,7-12H,6,13-15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyFYXGDODBOQAOQL-UHFFFAOYSA-N
XLogP3.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide
CID 110930982
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide
CID 42970232
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
2-[(S)-[2-(4-methylanilino)-2-oxoethyl]sulfinyl]-N-[3-(N-methylanilino)propyl]acetamide
CID 11902759
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-[3-(N-methylanilino)propyl]-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 16593977
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 25344786
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide
CID 41269841

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide (CID 40689481) is 2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide is CC(=O)Nc1ccc(SCC(=O)NCCCN(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
The InChIKey is FYXGDODBOQAOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-16(24)22-17-9-11-19(12-10-17)26-15-20(25)21-13-6-14-23(2)18-7-4-3-5-8-18/h3-5,7-12H,6,13-15H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 40689481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).