N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide

C14H21N3O2S — CID 61448387

IUPACN-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
SMILESCCN(CCOC)CC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C14H21N3O2S/c1-3-17(7-8-19-2)10-13(18)16-12-6-4-5-11(9-12)14(15)20/h4-6,9H,3,7-8,10H2,1-2H3,(H2,15,20)(H,16,18)
InChIKeyYCYFNYJVFOYKOZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.23
Rot. Bonds8

About N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide

N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide (PubChem CID 61448387) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
PubChem CID61448387
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
SMILESCCN(CCOC)CC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C14H21N3O2S/c1-3-17(7-8-19-2)10-13(18)16-12-6-4-5-11(9-12)14(15)20/h4-6,9H,3,7-8,10H2,1-2H3,(H2,15,20)(H,16,18)
InChIKeyYCYFNYJVFOYKOZ-UHFFFAOYSA-N
XLogP1.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)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-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448483
2-[ethyl(2-methoxyethyl)amino]-N-[3-(methylamino)phenyl]acetamide
CID 71219508
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269592
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444928
2-[butan-2-yl(methyl)amino]-N-(3-carbamothioylphenyl)acetamide
CID 43272948
3-(3-carbamothioylphenyl)-1,1-diethylurea
CID 79162256
N-(3-carbamothioylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265794
N-(3-carbamothioylphenyl)-4-propoxybutanamide
CID 43248092
N-(2-amino-6-methylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444432
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
N-(4-cyanophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448468

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide (CID 61448387) is N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide is CCN(CCOC)CC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide?
The InChIKey is YCYFNYJVFOYKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-17(7-8-19-2)10-13(18)16-12-6-4-5-11(9-12)14(15)20/h4-6,9H,3,7-8,10H2,1-2H3,(H2,15,20)(H,16,18).
What are the key properties of N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide?
N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 61448387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).