3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide

C16H24N2OS — CID 61470968

IUPAC3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H24N2OS/c1-11(2)6-4-7-12(3)18-16(19)14-9-5-8-13(10-14)15(17)20/h5,8-12H,4,6-7H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyZPZYPADGWSNCGS-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.27
Rot. Bonds7

About 3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide

3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide (PubChem CID 61470968) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide
PubChem CID61470968
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H24N2OS/c1-11(2)6-4-7-12(3)18-16(19)14-9-5-8-13(10-14)15(17)20/h5,8-12H,4,6-7H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyZPZYPADGWSNCGS-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methylheptan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 61470964
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 61111337
3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide
CID 51158620
N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
CID 47105831
3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429310
3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide
CID 51204934
N-(6-methylheptan-2-yl)-4-sulfanylbenzamide
CID 107025136
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 111075743
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
N-tert-butyl-3-carbamothioylbenzamide
CID 24700887

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide?
The IUPAC name of 3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide (CID 61470968) is 3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide.
What is the SMILES notation for 3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide?
The canonical SMILES for 3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide is CC(C)CCCC(C)NC(=O)c1cccc(C(N)=S)c1.
What is the InChIKey of 3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide?
The InChIKey is ZPZYPADGWSNCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(2)6-4-7-12(3)18-16(19)14-9-5-8-13(10-14)15(17)20/h5,8-12H,4,6-7H2,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide?
3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide is sourced from PubChem (CID 61470968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).