4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide

C15H14N2OS — CID 82179511

IUPAC4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
SMILESNC(=S)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H14N2OS/c16-14(19)10-11-6-8-12(9-7-11)15(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,19)(H,17,18)
InChIKeyNMRHSKKIVVWSKC-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.77
Rot. Bonds4

About 4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide

4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide (PubChem CID 82179511) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
PubChem CID82179511
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
SMILESNC(=S)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H14N2OS/c16-14(19)10-11-6-8-12(9-7-11)15(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,19)(H,17,18)
InChIKeyNMRHSKKIVVWSKC-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.77
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

4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide
CID 82179485
4-(2-amino-2-sulfanylideneethyl)-N-(3-fluorophenyl)benzamide
CID 82179496
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-bromobenzamide
CID 62301577
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107961757
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
4-(2-amino-2-sulfanylideneethyl)-N-(2-ethoxyphenyl)benzamide
CID 94806353
3-(2-amino-2-sulfanylideneethyl)-N-(4-ethylphenyl)benzamide
CID 82179523
N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
4-(2-amino-2-sulfanylideneethyl)-N-tert-butylbenzamide
CID 82178859
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
[4-(phenylcarbamoyl)phenyl]methyl nitrate
CID 56659561

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide?
The IUPAC name of 4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide (CID 82179511) is 4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide.
What is the SMILES notation for 4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide?
The canonical SMILES for 4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide is NC(=S)Cc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide?
The InChIKey is NMRHSKKIVVWSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-14(19)10-11-6-8-12(9-7-11)15(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,19)(H,17,18).
What are the key properties of 4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide?
4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide has a molecular weight of 270.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide is sourced from PubChem (CID 82179511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).