4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide

C16H24N2OS — CID 61378658

IUPAC4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H24N2OS/c1-11(2)9-18(10-12(3)4)16(19)14-7-5-13(6-8-14)15(17)20/h5-8,11-12H,9-10H2,1-4H3,(H2,17,20)
InChIKeyIXWXYUZNKKWKOE-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.08
Rot. Bonds6

About 4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide

4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide (PubChem CID 61378658) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide
PubChem CID61378658
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H24N2OS/c1-11(2)9-18(10-12(3)4)16(19)14-7-5-13(6-8-14)15(17)20/h5-8,11-12H,9-10H2,1-4H3,(H2,17,20)
InChIKeyIXWXYUZNKKWKOE-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.08
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

1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163
4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429258
4-carbamothioyl-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62336591
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 63589281
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
4-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009098
4-carbamothioyl-N-propan-2-yl-N-propylbenzamide
CID 43269726
N-(3-amino-3-hydroxyiminopropyl)-4-fluoro-N-(2-methylpropyl)benzamide
CID 76917276
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide (CID 61378658) is 4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is IXWXYUZNKKWKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(2)9-18(10-12(3)4)16(19)14-7-5-13(6-8-14)15(17)20/h5-8,11-12H,9-10H2,1-4H3,(H2,17,20).
What are the key properties of 4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide?
4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 61378658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).