N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide

C17H19N3O2S — CID 46518330

IUPACN-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(CSC)cc2)cc1
InChIInChI=1S/C17H19N3O2S/c1-18-17(22)20-15-9-7-14(8-10-15)19-16(21)13-5-3-12(4-6-13)11-23-2/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyOMBQPMNLLPNNFS-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.55
Rot. Bonds5

About N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide

N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 46518330) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID46518330
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(CSC)cc2)cc1
InChIInChI=1S/C17H19N3O2S/c1-18-17(22)20-15-9-7-14(8-10-15)19-16(21)13-5-3-12(4-6-13)11-23-2/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyOMBQPMNLLPNNFS-UHFFFAOYSA-N
XLogP3.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 33036805
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
CID 2526021
4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986022
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
CID 86883709
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 17403633
N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 7925023
1-(4-ethylphenyl)-3-methylurea
CID 54250791

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide (CID 46518330) is N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide is CNC(=O)Nc1ccc(NC(=O)c2ccc(CSC)cc2)cc1.
What is the InChIKey of N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is OMBQPMNLLPNNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-18-17(22)20-15-9-7-14(8-10-15)19-16(21)13-5-3-12(4-6-13)11-23-2/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide?
N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 329.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 46518330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).