N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide

C15H15FN2O2S — CID 63600011

IUPACN-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide
SMILESCOc1cc(Sc2ccc(NC(C)=O)cc2)c(N)cc1F
InChIInChI=1S/C15H15FN2O2S/c1-9(19)18-10-3-5-11(6-4-10)21-15-8-14(20-2)12(16)7-13(15)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyXMTDIHSZKBVRCF-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.53
Rot. Bonds4

About N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide

N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide (PubChem CID 63600011) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide
PubChem CID63600011
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide
SMILESCOc1cc(Sc2ccc(NC(C)=O)cc2)c(N)cc1F
InChIInChI=1S/C15H15FN2O2S/c1-9(19)18-10-3-5-11(6-4-10)21-15-8-14(20-2)12(16)7-13(15)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyXMTDIHSZKBVRCF-UHFFFAOYSA-N
XLogP3.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.53
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

5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline
CID 63597738
2-(3-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63598097
2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 55217046
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide
CID 67040240
N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
CID 62910785
2-(2-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600017
2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600005
N-[4-[2-amino-4-(cyanomethoxy)phenyl]sulfanylphenyl]acetamide
CID 67249992
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 63600024
N-(4-methoxy-3-methylsulfanylphenyl)acetamide
CID 593064
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide (CID 63600011) is N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide is COc1cc(Sc2ccc(NC(C)=O)cc2)c(N)cc1F.
What is the InChIKey of N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide?
The InChIKey is XMTDIHSZKBVRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-9(19)18-10-3-5-11(6-4-10)21-15-8-14(20-2)12(16)7-13(15)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide?
N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide has a molecular weight of 306.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 63600011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).