N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide

C18H20ClN3OS — CID 9216946

IUPACN-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide
SMILESCc1cc(C)cc(NC(=S)NCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C18H20ClN3OS/c1-11-7-12(2)9-14(8-11)21-18(24)20-10-17(23)22-16-6-4-5-15(19)13(16)3/h4-9H,10H2,1-3H3,(H,22,23)(H2,20,21,24)
InChIKeyXSUCMFFMLUSJKK-UHFFFAOYSA-N
MW361.90 g/mol
LogP4.19
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide

N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide (PubChem CID 9216946) has the molecular formula C18H20ClN3OS and a molecular weight of 361.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide
PubChem CID9216946
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide
SMILESCc1cc(C)cc(NC(=S)NCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C18H20ClN3OS/c1-11-7-12(2)9-14(8-11)21-18(24)20-10-17(23)22-16-6-4-5-15(19)13(16)3/h4-9H,10H2,1-3H3,(H,22,23)(H2,20,21,24)
InChIKeyXSUCMFFMLUSJKK-UHFFFAOYSA-N
XLogP4.19
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(3-chloro-4-methylphenyl)carbamothioylamino]acetamide
CID 9216941
2-[(3-chloro-2-methylphenyl)carbamothioylamino]acetamide
CID 54277983
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111092416
N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918712
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 679560
2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide
CID 24583347
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]prop-2-enamide
CID 146150404
1-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)thiourea
CID 976499
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)thiourea
CID 53365078

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide (CID 9216946) is N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide is Cc1cc(C)cc(NC(=S)NCC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide?
The InChIKey is XSUCMFFMLUSJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS/c1-11-7-12(2)9-14(8-11)21-18(24)20-10-17(23)22-16-6-4-5-15(19)13(16)3/h4-9H,10H2,1-3H3,(H,22,23)(H2,20,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide has a molecular weight of 361.90 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(3,5-dimethylphenyl)carbamothioylamino]acetamide is sourced from PubChem (CID 9216946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).