3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide

C20H19N3OS — CID 17335812

IUPAC3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
SMILESCc1ccc2c(NC(=S)NC(=O)c3ccc(C)c(C)c3)cccc2n1
InChIInChI=1S/C20H19N3OS/c1-12-7-9-15(11-13(12)2)19(24)23-20(25)22-18-6-4-5-17-16(18)10-8-14(3)21-17/h4-11H,1-3H3,(H2,22,23,24,25)
InChIKeyNUGMPLPACDQZEQ-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.29
Rot. Bonds2

About 3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide

3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide (PubChem CID 17335812) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
PubChem CID17335812
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
SMILESCc1ccc2c(NC(=S)NC(=O)c3ccc(C)c(C)c3)cccc2n1
InChIInChI=1S/C20H19N3OS/c1-12-7-9-15(11-13(12)2)19(24)23-20(25)22-18-6-4-5-17-16(18)10-8-14(3)21-17/h4-11H,1-3H3,(H2,22,23,24,25)
InChIKeyNUGMPLPACDQZEQ-UHFFFAOYSA-N
XLogP4.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylquinolin-5-yl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17313819
N-[(2-methylquinolin-5-yl)carbamothioyl]-4-propoxybenzamide
CID 17018382
2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
CID 17099334
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
4-[(3,4-dimethylbenzoyl)carbamothioylamino]-3-methylbenzoic acid
CID 28687353
3-iodo-N-(2-methylquinolin-5-yl)benzamide
CID 17099145
N-[(2-carbamoylphenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 888847
5-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
CID 17313480
5-(2,3-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
CID 17313884
4-chloro-3-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid
CID 4505999
3-bromo-4-methoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 4027215
3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3965193

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide (CID 17335812) is 3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide is Cc1ccc2c(NC(=S)NC(=O)c3ccc(C)c(C)c3)cccc2n1.
What is the InChIKey of 3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
The InChIKey is NUGMPLPACDQZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-12-7-9-15(11-13(12)2)19(24)23-20(25)22-18-6-4-5-17-16(18)10-8-14(3)21-17/h4-11H,1-3H3,(H2,22,23,24,25).
What are the key properties of 3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide has a molecular weight of 349.46 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide is sourced from PubChem (CID 17335812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).