N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide

C16H16N2O2S — CID 2558823

IUPACN-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-21-10-11-2-4-13(5-3-11)16(20)18-14-8-6-12(7-9-14)15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyDHRBJTARHFLZEM-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.90
Rot. Bonds5

About N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide

N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 2558823) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide
PubChem CID2558823
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-21-10-11-2-4-13(5-3-11)16(20)18-14-8-6-12(7-9-14)15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyDHRBJTARHFLZEM-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tacedinaline
CID 2746
Ameltolide
CID 13086
Ar-42
CID 6918848
Dinaline
CID 42725
4'-Methylbenzanilide
CID 68497
Cpi 1189
CID 151118
SK-7041
CID 6918714
4,4'-Diaminobenzanilide
CID 69917
Benzamide, 4-amino-N-(3-aminophenyl)-
CID 75870
4-Acetamidochalcone
CID 5896580
4-Amino-N-phenylbenzamide
CID 69910
N-(3,4-dimethylphenyl)-4-methylbenzamide
CID 668813

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide (CID 2558823) is N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is DHRBJTARHFLZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-21-10-11-2-4-13(5-3-11)16(20)18-14-8-6-12(7-9-14)15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide?
N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 2558823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).