3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

C20H24N4OS — CID 4288614

IUPAC3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
SMILESCc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c1
InChIInChI=1S/C20H24N4OS/c1-15-6-5-7-16(14-15)19(25)22-20(26)21-17-8-3-4-9-18(17)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H2,21,22,25,26)
InChIKeySVNNRGALNLJJFW-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.87
Rot. Bonds3

About 3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide (PubChem CID 4288614) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
PubChem CID4288614
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
SMILESCc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c1
InChIInChI=1S/C20H24N4OS/c1-15-6-5-7-16(14-15)19(25)22-20(26)21-17-8-3-4-9-18(17)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H2,21,22,25,26)
InChIKeySVNNRGALNLJJFW-UHFFFAOYSA-N
XLogP2.87
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3547605
3,4,5-triethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3900124
3-chloro-4-ethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4540737
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 22779701
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458
N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 21215408
N-[(2-cyanophenyl)carbamothioyl]-3-methylbenzamide
CID 905209
3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 57327062
3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide
CID 127046364
methyl 4-(4-methylpiperazin-1-yl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzoate
CID 17098889
[2-(4-methylpiperazin-1-yl)phenyl]thiourea
CID 4275618
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-methylbenzamide
CID 884861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide (CID 4288614) is 3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide is Cc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c1.
What is the InChIKey of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
The InChIKey is SVNNRGALNLJJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-6-5-7-16(14-15)19(25)22-20(26)21-17-8-3-4-9-18(17)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H2,21,22,25,26).
What are the key properties of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide has a molecular weight of 368.51 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 4288614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).