N-carbamothioyl-3-naphthalen-2-yldodecanamide

C23H32N2OS — CID 175370376

IUPACN-carbamothioyl-3-naphthalen-2-yldodecanamide
SMILESCCCCCCCCCC(CC(=O)NC(N)=S)c1ccc2ccccc2c1
InChIInChI=1S/C23H32N2OS/c1-2-3-4-5-6-7-8-12-20(17-22(26)25-23(24)27)21-15-14-18-11-9-10-13-19(18)16-21/h9-11,13-16,20H,2-8,12,17H2,1H3,(H3,24,25,26,27)
InChIKeyJFQFETQPBSUWPO-UHFFFAOYSA-N
MW384.59 g/mol
LogP5.81
Rot. Bonds11

About N-carbamothioyl-3-naphthalen-2-yldodecanamide

N-carbamothioyl-3-naphthalen-2-yldodecanamide (PubChem CID 175370376) has the molecular formula C23H32N2OS and a molecular weight of 384.59 g/mol. Its IUPAC name is N-carbamothioyl-3-naphthalen-2-yldodecanamide.

Molecular Properties

Compound NameN-carbamothioyl-3-naphthalen-2-yldodecanamide
PubChem CID175370376
Molecular FormulaC23H32N2OS
Molecular Weight384.59 g/mol
Exact Mass384.22
IUPAC NameN-carbamothioyl-3-naphthalen-2-yldodecanamide
SMILESCCCCCCCCCC(CC(=O)NC(N)=S)c1ccc2ccccc2c1
InChIInChI=1S/C23H32N2OS/c1-2-3-4-5-6-7-8-12-20(17-22(26)25-23(24)27)21-15-14-18-11-9-10-13-19(18)16-21/h9-11,13-16,20H,2-8,12,17H2,1H3,(H3,24,25,26,27)
InChIKeyJFQFETQPBSUWPO-UHFFFAOYSA-N
XLogP5.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 55.81
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

2-octan-3-ylnaphthalene
CID 14029920
1-naphthalen-2-ylnonylhydrazine
CID 105213332
2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide
CID 150866460
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
methyl 3-phenylundecanoate
CID 608715
1,1-diamino-4-phenylhexadecan-2-one
CID 70443579
4-phenylnonane-2-thione
CID 23365648
N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-3-naphthalen-2-yldodecanamide?
The IUPAC name of N-carbamothioyl-3-naphthalen-2-yldodecanamide (CID 175370376) is N-carbamothioyl-3-naphthalen-2-yldodecanamide.
What is the SMILES notation for N-carbamothioyl-3-naphthalen-2-yldodecanamide?
The canonical SMILES for N-carbamothioyl-3-naphthalen-2-yldodecanamide is CCCCCCCCCC(CC(=O)NC(N)=S)c1ccc2ccccc2c1.
What is the InChIKey of N-carbamothioyl-3-naphthalen-2-yldodecanamide?
The InChIKey is JFQFETQPBSUWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2OS/c1-2-3-4-5-6-7-8-12-20(17-22(26)25-23(24)27)21-15-14-18-11-9-10-13-19(18)16-21/h9-11,13-16,20H,2-8,12,17H2,1H3,(H3,24,25,26,27).
What are the key properties of N-carbamothioyl-3-naphthalen-2-yldodecanamide?
N-carbamothioyl-3-naphthalen-2-yldodecanamide has a molecular weight of 384.59 g/mol, XLogP of 5.81, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-3-naphthalen-2-yldodecanamide is sourced from PubChem (CID 175370376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).