N-(3-anilinophenyl)-2-sulfanylacetamide

C14H14N2OS — CID 164884048

IUPACN-(3-anilinophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c17-14(10-18)16-13-8-4-7-12(9-13)15-11-5-2-1-3-6-11/h1-9,15,18H,10H2,(H,16,17)
InChIKeyYMTZVTGVIFIXRE-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.30
Rot. Bonds4

About N-(3-anilinophenyl)-2-sulfanylacetamide

N-(3-anilinophenyl)-2-sulfanylacetamide (PubChem CID 164884048) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(3-anilinophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(3-anilinophenyl)-2-sulfanylacetamide
PubChem CID164884048
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(3-anilinophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c17-14(10-18)16-13-8-4-7-12(9-13)15-11-5-2-1-3-6-11/h1-9,15,18H,10H2,(H,16,17)
InChIKeyYMTZVTGVIFIXRE-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
gold;N-phenyl-2-sulfanylacetamide
CID 138394114
N-[3-(1-anilinoethyl)phenyl]-2-sulfanylacetamide
CID 142321538
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
potassium 3-[(2-sulfanylacetyl)amino]benzenesulfonate
CID 88792050
N-(3-anilinophenyl)-2-methylprop-2-enamide
CID 67511613
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide
CID 57104342
2-amino-N-(3-anilinophenyl)benzamide
CID 155671979
3-hydroxy-N-[3-[[3-hydroxy-2-[(2-sulfanylacetyl)amino]propanoyl]amino]phenyl]-2-[(2-sulfanylacetyl)amino]propanamide
CID 132943201
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-2-sulfanylacetamide?
The IUPAC name of N-(3-anilinophenyl)-2-sulfanylacetamide (CID 164884048) is N-(3-anilinophenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(3-anilinophenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(3-anilinophenyl)-2-sulfanylacetamide is O=C(CS)Nc1cccc(Nc2ccccc2)c1.
What is the InChIKey of N-(3-anilinophenyl)-2-sulfanylacetamide?
The InChIKey is YMTZVTGVIFIXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(10-18)16-13-8-4-7-12(9-13)15-11-5-2-1-3-6-11/h1-9,15,18H,10H2,(H,16,17).
What are the key properties of N-(3-anilinophenyl)-2-sulfanylacetamide?
N-(3-anilinophenyl)-2-sulfanylacetamide has a molecular weight of 258.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 164884048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).