2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide

C18H22N2OS — CID 3604206

IUPAC2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CSc2ccccc2N)cc1
InChIInChI=1S/C18H22N2OS/c1-2-3-6-14-9-11-15(12-10-14)20-18(21)13-22-17-8-5-4-7-16(17)19/h4-5,7-12H,2-3,6,13,19H2,1H3,(H,20,21)
InChIKeyQHEWLXQQMSJBCB-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.34
Rot. Bonds7

About 2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide (PubChem CID 3604206) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
PubChem CID3604206
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CSc2ccccc2N)cc1
InChIInChI=1S/C18H22N2OS/c1-2-3-6-14-9-11-15(12-10-14)20-18(21)13-22-17-8-5-4-7-16(17)19/h4-5,7-12H,2-3,6,13,19H2,1H3,(H,20,21)
InChIKeyQHEWLXQQMSJBCB-UHFFFAOYSA-N
XLogP4.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3482565
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 79128368
N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628497
N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 3572767
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2206380
2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8554081
2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
CID 82180180
[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834240
N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 7575397

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide (CID 3604206) is 2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide is CCCCc1ccc(NC(=O)CSc2ccccc2N)cc1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide?
The InChIKey is QHEWLXQQMSJBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-3-6-14-9-11-15(12-10-14)20-18(21)13-22-17-8-5-4-7-16(17)19/h4-5,7-12H,2-3,6,13,19H2,1H3,(H,20,21).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide has a molecular weight of 314.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide is sourced from PubChem (CID 3604206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).