2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine

C17H15NOS2 — CID 91521028

IUPAC2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine
SMILESCSc1sccc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15NOS2/c1-20-17-16(11-12-21-17)18-13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-12,18H,1H3
InChIKeyXPHPTFKXJSNWEG-UHFFFAOYSA-N
MW313.45 g/mol
LogP6.01
Rot. Bonds5

About 2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine

2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine (PubChem CID 91521028) has the molecular formula C17H15NOS2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine
PubChem CID91521028
Molecular FormulaC17H15NOS2
Molecular Weight313.45 g/mol
Exact Mass313.06
IUPAC Name2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine
SMILESCSc1sccc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H15NOS2/c1-20-17-16(11-12-21-17)18-13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-12,18H,1H3
InChIKeyXPHPTFKXJSNWEG-UHFFFAOYSA-N
XLogP6.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.45
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 67624921
methyl 5-methylsulfanyl-4-(3-phenoxyanilino)thiophene-2-carboxylate
CID 18537186
N-(4-phenoxyphenyl)quinolin-4-amine
CID 44585573
4-phenoxy-N-trimethylsilylaniline
CID 139791988
N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride
CID 67699123
6-(4-methylpiperazin-1-yl)-2-methylsulfanyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 99968574
methyl 3-amino-4-(4-phenoxyanilino)benzoate
CID 100629896
2-[methylsulfanyl-(4-phenoxyanilino)methylidene]propanedinitrile
CID 90460130
3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779061
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N-(3-methylbutan-2-yl)-4-phenoxyaniline
CID 43111618

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine?
The IUPAC name of 2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine (CID 91521028) is 2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine?
The canonical SMILES for 2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine is CSc1sccc1Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine?
The InChIKey is XPHPTFKXJSNWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS2/c1-20-17-16(11-12-21-17)18-13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-12,18H,1H3.
What are the key properties of 2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine?
2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine has a molecular weight of 313.45 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-phenoxyphenyl)thiophen-3-amine is sourced from PubChem (CID 91521028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).