3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide

C15H15N3O2S — CID 9068240

IUPAC3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cccc(NC(N)=O)c2)c1
InChIInChI=1S/C15H15N3O2S/c1-21-13-7-3-6-12(9-13)17-14(19)10-4-2-5-11(8-10)18-15(16)20/h2-9H,1H3,(H,17,19)(H3,16,18,20)
InChIKeyOXUHTLVIZQVMFY-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.15
Rot. Bonds4

About 3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide

3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 9068240) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
PubChem CID9068240
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cccc(NC(N)=O)c2)c1
InChIInChI=1S/C15H15N3O2S/c1-21-13-7-3-6-12(9-13)17-14(19)10-4-2-5-11(8-10)18-15(16)20/h2-9H,1H3,(H,17,19)(H3,16,18,20)
InChIKeyOXUHTLVIZQVMFY-UHFFFAOYSA-N
XLogP3.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 43333027
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9210618
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide
CID 63186134
3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
CID 104627461
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
CID 78776448

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide (CID 9068240) is 3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2cccc(NC(N)=O)c2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is OXUHTLVIZQVMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-21-13-7-3-6-12(9-13)17-14(19)10-4-2-5-11(8-10)18-15(16)20/h2-9H,1H3,(H,17,19)(H3,16,18,20).
What are the key properties of 3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide?
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 301.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 9068240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).