S-benzamido 4-(methylamino)benzenecarbothioate

C15H14N2O2S — CID 144902853

IUPACS-benzamido 4-(methylamino)benzenecarbothioate
SMILESCNc1ccc(C(=O)SNC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O2S/c1-16-13-9-7-12(8-10-13)15(19)20-17-14(18)11-5-3-2-4-6-11/h2-10,16H,1H3,(H,17,18)
InChIKeyHELDLOJJCYKCMA-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.95
Rot. Bonds3

About S-benzamido 4-(methylamino)benzenecarbothioate

S-benzamido 4-(methylamino)benzenecarbothioate (PubChem CID 144902853) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is S-benzamido 4-(methylamino)benzenecarbothioate.

Molecular Properties

Compound NameS-benzamido 4-(methylamino)benzenecarbothioate
PubChem CID144902853
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameS-benzamido 4-(methylamino)benzenecarbothioate
SMILESCNc1ccc(C(=O)SNC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O2S/c1-16-13-9-7-12(8-10-13)15(19)20-17-14(18)11-5-3-2-4-6-11/h2-10,16H,1H3,(H,17,18)
InChIKeyHELDLOJJCYKCMA-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-[(2-methylbenzoyl)amino] benzenecarbothioate
CID 88533971
S-(2-methylhydrazinyl) benzenecarbothioate
CID 90998429
S-(tert-butylamino) benzenecarbothioate
CID 151499955
S-benzamido 2-phenylpropanethioate
CID 57378555
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040
N-methylbenzamide
CID 11954
1-N,3-N-bis[3-(methylamino)phenyl]benzene-1,3-dicarboxamide;1-N,4-N-bis[4-(methylamino)phenyl]benzene-1,4-dicarboxamide
CID 158849064
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
N-methylbenzamide;molecular hydrogen
CID 142972595

Frequently Asked Questions

What is the IUPAC name of S-benzamido 4-(methylamino)benzenecarbothioate?
The IUPAC name of S-benzamido 4-(methylamino)benzenecarbothioate (CID 144902853) is S-benzamido 4-(methylamino)benzenecarbothioate.
What is the SMILES notation for S-benzamido 4-(methylamino)benzenecarbothioate?
The canonical SMILES for S-benzamido 4-(methylamino)benzenecarbothioate is CNc1ccc(C(=O)SNC(=O)c2ccccc2)cc1.
What is the InChIKey of S-benzamido 4-(methylamino)benzenecarbothioate?
The InChIKey is HELDLOJJCYKCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-16-13-9-7-12(8-10-13)15(19)20-17-14(18)11-5-3-2-4-6-11/h2-10,16H,1H3,(H,17,18).
What are the key properties of S-benzamido 4-(methylamino)benzenecarbothioate?
S-benzamido 4-(methylamino)benzenecarbothioate has a molecular weight of 286.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-benzamido 4-(methylamino)benzenecarbothioate is sourced from PubChem (CID 144902853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).