3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide

C15H13ClN2OS — CID 82179528

IUPAC3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide
SMILESNC(=S)Cc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClN2OS/c16-12-5-2-6-13(9-12)18-15(19)11-4-1-3-10(7-11)8-14(17)20/h1-7,9H,8H2,(H2,17,20)(H,18,19)
InChIKeyYTARYWDVEYBTCG-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.42
Rot. Bonds4

About 3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide

3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide (PubChem CID 82179528) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide
PubChem CID82179528
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide
SMILESNC(=S)Cc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClN2OS/c16-12-5-2-6-13(9-12)18-15(19)11-4-1-3-10(7-11)8-14(17)20/h1-7,9H,8H2,(H2,17,20)(H,18,19)
InChIKeyYTARYWDVEYBTCG-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-2-sulfanylideneethyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 94806381
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
3-(2-amino-2-sulfanylideneethyl)-N-(4-ethylphenyl)benzamide
CID 82179523
N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide
CID 8777105
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
4-(2-amino-2-sulfanylideneethyl)-N-(3-fluorophenyl)benzamide
CID 82179496
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-bromobenzamide
CID 62301577
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-(2-amino-2-sulfanylideneethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 94806379

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide?
The IUPAC name of 3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide (CID 82179528) is 3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide is NC(=S)Cc1cccc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide?
The InChIKey is YTARYWDVEYBTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-12-5-2-6-13(9-12)18-15(19)11-4-1-3-10(7-11)8-14(17)20/h1-7,9H,8H2,(H2,17,20)(H,18,19).
What are the key properties of 3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide?
3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide has a molecular weight of 304.80 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 82179528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).