N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide

C15H23N3O2S — CID 61427702

IUPACN-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
SMILESCOCCN(C)CCCC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C15H23N3O2S/c1-18(10-11-20-2)9-5-8-14(19)17-13-7-4-3-6-12(13)15(16)21/h3-4,6-7H,5,8-11H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyLBOHNJWELATYQW-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.62
Rot. Bonds9

About N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide

N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide (PubChem CID 61427702) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
PubChem CID61427702
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
SMILESCOCCN(C)CCCC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C15H23N3O2S/c1-18(10-11-20-2)9-5-8-14(19)17-13-7-4-3-6-12(13)15(16)21/h3-4,6-7H,5,8-11H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyLBOHNJWELATYQW-UHFFFAOYSA-N
XLogP1.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62985534
N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29002285
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(4-amino-2-methoxyphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427454
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43270414
2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339136
2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 17339119
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide (CID 61427702) is N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide is COCCN(C)CCCC(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide?
The InChIKey is LBOHNJWELATYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18(10-11-20-2)9-5-8-14(19)17-13-7-4-3-6-12(13)15(16)21/h3-4,6-7H,5,8-11H2,1-2H3,(H2,16,21)(H,17,19).
What are the key properties of N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide?
N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide has a molecular weight of 309.44 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide is sourced from PubChem (CID 61427702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).