2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide

C17H20N2O2S — CID 18894350

IUPAC2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide
SMILESCCC(Sc1cccc(N)c1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H20N2O2S/c1-3-16(22-15-6-4-5-12(18)11-15)17(20)19-13-7-9-14(21-2)10-8-13/h4-11,16H,3,18H2,1-2H3,(H,19,20)
InChIKeyUZDIXFSFCPIPSR-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.79
Rot. Bonds6

About 2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide

2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide (PubChem CID 18894350) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide
PubChem CID18894350
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide
SMILESCCC(Sc1cccc(N)c1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H20N2O2S/c1-3-16(22-15-6-4-5-12(18)11-15)17(20)19-13-7-9-14(21-2)10-8-13/h4-11,16H,3,18H2,1-2H3,(H,19,20)
InChIKeyUZDIXFSFCPIPSR-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(4-butoxyphenyl)butanamide
CID 18894361
2-(3-aminophenyl)sulfanyl-N-(4-iodophenyl)butanamide
CID 18894354
N-[3-[1-(4-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901404
4-methoxy-N-[3-[1-oxo-1-(4-phenoxyanilino)butan-2-yl]sulfanylphenyl]benzamide
CID 18903718
2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide
CID 18894343
2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 18894310
N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide
CID 23886285
2-(3-aminophenyl)sulfanyl-N-[4-(1,3-benzoxazol-2-yl)phenyl]butanamide
CID 18894376
2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 18894352
2-(3-methoxyphenyl)sulfanylbutanehydrazide
CID 63582830
2-(3-aminophenyl)sulfanylbutanoic acid
CID 79133300
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3-methoxyphenyl)butanamide
CID 19317300

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide (CID 18894350) is 2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide is CCC(Sc1cccc(N)c1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide?
The InChIKey is UZDIXFSFCPIPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-3-16(22-15-6-4-5-12(18)11-15)17(20)19-13-7-9-14(21-2)10-8-13/h4-11,16H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide?
2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide has a molecular weight of 316.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 18894350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).