3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide

C19H20N2O2S2 — CID 18208547

IUPAC3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(C3SCCCS3)cc2)c1
InChIInChI=1S/C19H20N2O2S2/c1-20-17(22)15-4-2-5-16(12-15)21-18(23)13-6-8-14(9-7-13)19-24-10-3-11-25-19/h2,4-9,12,19H,3,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyKAUQLSDCLVTGBH-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.17
Rot. Bonds4

About 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide

3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide (PubChem CID 18208547) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide
PubChem CID18208547
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(C3SCCCS3)cc2)c1
InChIInChI=1S/C19H20N2O2S2/c1-20-17(22)15-4-2-5-16(12-15)21-18(23)13-6-8-14(9-7-13)19-24-10-3-11-25-19/h2,4-9,12,19H,3,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyKAUQLSDCLVTGBH-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 38206907
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CID 8761867
4-(1,3-dithian-2-yl)-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 87008562
4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide
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4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 60601174
N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide
CID 27022341
4-(1,3-dithiolan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4822322
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 27889138
4-(1,3-dithiolan-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 46807139
4-(1,3-dithiolan-2-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 75416504
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide (CID 18208547) is 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)c2ccc(C3SCCCS3)cc2)c1.
What is the InChIKey of 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide?
The InChIKey is KAUQLSDCLVTGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-20-17(22)15-4-2-5-16(12-15)21-18(23)13-6-8-14(9-7-13)19-24-10-3-11-25-19/h2,4-9,12,19H,3,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide?
3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide has a molecular weight of 372.52 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 18208547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).