N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide

C15H23N3O2S — CID 81035802

IUPACN-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
SMILESCC(C)OCCN(C)CC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H23N3O2S/c1-11(2)20-9-8-18(3)10-14(19)17-13-6-4-12(5-7-13)15(16)21/h4-7,11H,8-10H2,1-3H3,(H2,16,21)(H,17,19)
InChIKeyJAHNWZRREZJHIT-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.62
Rot. Bonds8

About N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide

N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide (PubChem CID 81035802) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
PubChem CID81035802
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
SMILESCC(C)OCCN(C)CC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H23N3O2S/c1-11(2)20-9-8-18(3)10-14(19)17-13-6-4-12(5-7-13)15(16)21/h4-7,11H,8-10H2,1-3H3,(H2,16,21)(H,17,19)
InChIKeyJAHNWZRREZJHIT-UHFFFAOYSA-N
XLogP1.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide 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-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 80710244
N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81058953
N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62335182
N-(4-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448483
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569177
N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81059349
N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide
CID 102981860
4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide
CID 91843825
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
CID 62686648
4-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 79594551

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide (CID 81035802) is N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide is CC(C)OCCN(C)CC(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The InChIKey is JAHNWZRREZJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11(2)20-9-8-18(3)10-14(19)17-13-6-4-12(5-7-13)15(16)21/h4-7,11H,8-10H2,1-3H3,(H2,16,21)(H,17,19).
What are the key properties of N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide is sourced from PubChem (CID 81035802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).