N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide

C16H16N2OS — CID 62969603

IUPACN-(4-carbamothioylphenyl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H16N2OS/c1-11-5-3-4-6-14(11)16(19)18(2)13-9-7-12(8-10-13)15(17)20/h3-10H,1-2H3,(H2,17,20)
InChIKeyMKFZSKSWYJXJPM-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.91
Rot. Bonds3

About N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide

N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide (PubChem CID 62969603) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-N,2-dimethylbenzamide
PubChem CID62969603
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(4-carbamothioylphenyl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H16N2OS/c1-11-5-3-4-6-14(11)16(19)18(2)13-9-7-12(8-10-13)15(17)20/h3-10H,1-2H3,(H2,17,20)
InChIKeyMKFZSKSWYJXJPM-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide
CID 76979478
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
N,2-dimethyl-N-phenylbenzamide
CID 5222383
N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide
CID 62969444
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-(4-carbamothioylphenyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 102801557
N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide
CID 62969966
methyl N-(4-carbamothioylphenyl)-N-methylcarbamate
CID 62971383
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide
CID 151032584

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide?
The IUPAC name of N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide (CID 62969603) is N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)c1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide?
The InChIKey is MKFZSKSWYJXJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-5-3-4-6-14(11)16(19)18(2)13-9-7-12(8-10-13)15(17)20/h3-10H,1-2H3,(H2,17,20).
What are the key properties of N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide?
N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 62969603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).