N-carbamothioyl-N-decylbenzamide

C18H28N2OS — CID 161130418

IUPACN-carbamothioyl-N-decylbenzamide
SMILESCCCCCCCCCCN(C(=O)c1ccccc1)C(N)=S
InChIInChI=1S/C18H28N2OS/c1-2-3-4-5-6-7-8-12-15-20(18(19)22)17(21)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3,(H2,19,22)
InChIKeyUMCIQWOXRMKXOM-UHFFFAOYSA-N
MW320.50 g/mol
LogP4.51
Rot. Bonds10

About N-carbamothioyl-N-decylbenzamide

N-carbamothioyl-N-decylbenzamide (PubChem CID 161130418) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is N-carbamothioyl-N-decylbenzamide.

Molecular Properties

Compound NameN-carbamothioyl-N-decylbenzamide
PubChem CID161130418
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC NameN-carbamothioyl-N-decylbenzamide
SMILESCCCCCCCCCCN(C(=O)c1ccccc1)C(N)=S
InChIInChI=1S/C18H28N2OS/c1-2-3-4-5-6-7-8-12-15-20(18(19)22)17(21)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3,(H2,19,22)
InChIKeyUMCIQWOXRMKXOM-UHFFFAOYSA-N
XLogP4.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 71326670
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CID 61215400
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CID 69012000
benzoic acid;N,N-dioctyloctan-1-amine
CID 68632101
1-N,3-N-bis[(2S)-2-aminopropanoyl]-1-N,3-N-dihexadecylbenzene-1,3-dicarboxamide
CID 139823943
N-ethanethioyl-N-ethylbenzamide
CID 45118543
1,2-diphenylethane-1,2-dione;N-ethyl-N-methylhexan-1-amine
CID 69013221
benzoic acid;bis(N,N-dimethyldodecan-1-amine);hydrochloride
CID 175115715
N-(2,2-diaminoacetyl)-4-hydroxy-N-octylbenzamide
CID 67571411
N-benzoylbenzohydrazide;2-nonylpropanedioic acid
CID 175262903
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
N-butanoyl-N-propylbenzamide
CID 70941556

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-N-decylbenzamide?
The IUPAC name of N-carbamothioyl-N-decylbenzamide (CID 161130418) is N-carbamothioyl-N-decylbenzamide.
What is the SMILES notation for N-carbamothioyl-N-decylbenzamide?
The canonical SMILES for N-carbamothioyl-N-decylbenzamide is CCCCCCCCCCN(C(=O)c1ccccc1)C(N)=S.
What is the InChIKey of N-carbamothioyl-N-decylbenzamide?
The InChIKey is UMCIQWOXRMKXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-2-3-4-5-6-7-8-12-15-20(18(19)22)17(21)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3,(H2,19,22).
What are the key properties of N-carbamothioyl-N-decylbenzamide?
N-carbamothioyl-N-decylbenzamide has a molecular weight of 320.50 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-N-decylbenzamide is sourced from PubChem (CID 161130418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).