N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide

C14H20N2OS — CID 62970484

IUPACN-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)c1ccc(C(N)=S)cc1
InChIInChI=1S/C14H20N2OS/c1-4-10(5-2)14(17)16(3)12-8-6-11(7-9-12)13(15)18/h6-10H,4-5H2,1-3H3,(H2,15,18)
InChIKeyGUPCEIVZKSWTKZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.72
Rot. Bonds5

About N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide

N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide (PubChem CID 62970484) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide
PubChem CID62970484
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)c1ccc(C(N)=S)cc1
InChIInChI=1S/C14H20N2OS/c1-4-10(5-2)14(17)16(3)12-8-6-11(7-9-12)13(15)18/h6-10H,4-5H2,1-3H3,(H2,15,18)
InChIKeyGUPCEIVZKSWTKZ-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
CID 28755474
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
methyl N-(4-carbamothioylphenyl)-N-methylcarbamate
CID 62971383
4-[2-ethylhexanoyl(methyl)amino]benzoic acid
CID 104698018
N-(4-carbamothioylphenyl)-N-methyloctanamide
CID 62971888
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide
CID 62969966
4-[[(2S)-2-aminobutanoyl]-methylamino]benzoic acid
CID 113442786
N-(4-carbamothioylphenyl)-N-methylpyrrolidine-1-carboxamide
CID 79162223
4-[propan-2-yl(propyl)amino]benzenecarbothioamide
CID 43269754
N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide
CID 62971005
N-(4-carbamothioylphenyl)-N-methylcycloheptanecarboxamide
CID 62969973

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide (CID 62970484) is N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide is CCC(CC)C(=O)N(C)c1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide?
The InChIKey is GUPCEIVZKSWTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-10(5-2)14(17)16(3)12-8-6-11(7-9-12)13(15)18/h6-10H,4-5H2,1-3H3,(H2,15,18).
What are the key properties of N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide?
N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide has a molecular weight of 264.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 62970484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).