N-(naphthalen-1-ylcarbamothioyl)undecanamide

C22H30N2OS — CID 166518646

IUPACN-(naphthalen-1-ylcarbamothioyl)undecanamide
SMILESCCCCCCCCCCC(=O)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C22H30N2OS/c1-2-3-4-5-6-7-8-9-17-21(25)24-22(26)23-20-16-12-14-18-13-10-11-15-19(18)20/h10-16H,2-9,17H2,1H3,(H2,23,24,25,26)
InChIKeyRNRAMGNIUFJSCQ-UHFFFAOYSA-N
MW370.56 g/mol
LogP6.18
Rot. Bonds10

About N-(naphthalen-1-ylcarbamothioyl)undecanamide

N-(naphthalen-1-ylcarbamothioyl)undecanamide (PubChem CID 166518646) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is N-(naphthalen-1-ylcarbamothioyl)undecanamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylcarbamothioyl)undecanamide
PubChem CID166518646
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC NameN-(naphthalen-1-ylcarbamothioyl)undecanamide
SMILESCCCCCCCCCCC(=O)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C22H30N2OS/c1-2-3-4-5-6-7-8-9-17-21(25)24-22(26)23-20-16-12-14-18-13-10-11-15-19(18)20/h10-16H,2-9,17H2,1H3,(H2,23,24,25,26)
InChIKeyRNRAMGNIUFJSCQ-UHFFFAOYSA-N
XLogP6.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 56.18
H-Bond Donors ≤ 52
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

N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625
N-naphthalen-1-yldodecanamide
CID 588517
N-[(2-propan-2-ylphenyl)carbamothioyl]heptanamide
CID 54789169
3-(hexanoylcarbamothioylamino)-2-methylbenzoic acid
CID 4507253
N-[(2-methoxyphenyl)carbamothioyl]pentanamide
CID 19187716
N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
CID 17151100
N-butyl-2-(naphthalen-1-ylcarbamothioylamino)acetamide
CID 173169464
N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]heptanamide
CID 54789366
2-(octanoylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4958966
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]heptanamide
CID 54789040
N-[3-(pentanoylcarbamothioylamino)phenyl]hexanamide
CID 26161880
N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide
CID 54789192

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylcarbamothioyl)undecanamide?
The IUPAC name of N-(naphthalen-1-ylcarbamothioyl)undecanamide (CID 166518646) is N-(naphthalen-1-ylcarbamothioyl)undecanamide.
What is the SMILES notation for N-(naphthalen-1-ylcarbamothioyl)undecanamide?
The canonical SMILES for N-(naphthalen-1-ylcarbamothioyl)undecanamide is CCCCCCCCCCC(=O)NC(=S)Nc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylcarbamothioyl)undecanamide?
The InChIKey is RNRAMGNIUFJSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS/c1-2-3-4-5-6-7-8-9-17-21(25)24-22(26)23-20-16-12-14-18-13-10-11-15-19(18)20/h10-16H,2-9,17H2,1H3,(H2,23,24,25,26).
What are the key properties of N-(naphthalen-1-ylcarbamothioyl)undecanamide?
N-(naphthalen-1-ylcarbamothioyl)undecanamide has a molecular weight of 370.56 g/mol, XLogP of 6.18, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylcarbamothioyl)undecanamide is sourced from PubChem (CID 166518646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).