N-(4-carbamothioylphenyl)-N-methyloctanamide

C16H24N2OS — CID 62971888

IUPACN-(4-carbamothioylphenyl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H24N2OS/c1-3-4-5-6-7-8-15(19)18(2)14-11-9-13(10-12-14)16(17)20/h9-12H,3-8H2,1-2H3,(H2,17,20)
InChIKeyURSFNDMOQKVUAU-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.64
Rot. Bonds8

About N-(4-carbamothioylphenyl)-N-methyloctanamide

N-(4-carbamothioylphenyl)-N-methyloctanamide (PubChem CID 62971888) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-N-methyloctanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-N-methyloctanamide
PubChem CID62971888
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(4-carbamothioylphenyl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H24N2OS/c1-3-4-5-6-7-8-15(19)18(2)14-11-9-13(10-12-14)16(17)20/h9-12H,3-8H2,1-2H3,(H2,17,20)
InChIKeyURSFNDMOQKVUAU-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.64
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

N-methyl-N-phenylnonanamide
CID 54136731
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344
N-methyl-N-(4-nitrophenyl)octanamide
CID 71368131
7-amino-N-(4-fluorophenyl)-N-methylheptanamide
CID 119729880
4-[5-aminopentanoyl(methyl)amino]benzoic acid
CID 104698737
N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide
CID 62970484
N-[(3-carbamothioylphenyl)methyl]-N-methylheptanamide
CID 114752780
N,N-dimethyloctadecanamide;thiourea
CID 174811693
N-(3-hydroxyphenyl)-N-methylnonanamide
CID 107736082
N-(4-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62970842
N-[3-(aminomethyl)phenyl]-N-methyldecanamide
CID 65447779
methyl N-(4-carbamothioylphenyl)-N-methylcarbamate
CID 62971383

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-N-methyloctanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-N-methyloctanamide (CID 62971888) is N-(4-carbamothioylphenyl)-N-methyloctanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-N-methyloctanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-N-methyloctanamide is CCCCCCCC(=O)N(C)c1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-N-methyloctanamide?
The InChIKey is URSFNDMOQKVUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-4-5-6-7-8-15(19)18(2)14-11-9-13(10-12-14)16(17)20/h9-12H,3-8H2,1-2H3,(H2,17,20).
What are the key properties of N-(4-carbamothioylphenyl)-N-methyloctanamide?
N-(4-carbamothioylphenyl)-N-methyloctanamide has a molecular weight of 292.45 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-N-methyloctanamide is sourced from PubChem (CID 62971888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).