N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide

C19H23N3O2S — CID 134802744

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(-c2cccc(C(=O)NCCNC(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H23N3O2S/c1-22(2)19(24)21-12-11-20-18(23)16-6-4-5-15(13-16)14-7-9-17(25-3)10-8-14/h4-10,13H,11-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyIFXODJQASAHKOP-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide

N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide (PubChem CID 134802744) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide
PubChem CID134802744
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(-c2cccc(C(=O)NCCNC(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H23N3O2S/c1-22(2)19(24)21-12-11-20-18(23)16-6-4-5-15(13-16)14-7-9-17(25-3)10-8-14/h4-10,13H,11-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyIFXODJQASAHKOP-UHFFFAOYSA-N
XLogP3.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide (CID 134802744) is N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide is CSc1ccc(-c2cccc(C(=O)NCCNC(=O)N(C)C)c2)cc1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide?
The InChIKey is IFXODJQASAHKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-22(2)19(24)21-12-11-20-18(23)16-6-4-5-15(13-16)14-7-9-17(25-3)10-8-14/h4-10,13H,11-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide?
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 134802744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).