2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide

C15H23N3O2S — CID 61448716

IUPAC2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CCOc1ccccc1C(N)=S)CC(=O)N(C)C
InChIInChI=1S/C15H23N3O2S/c1-4-18(11-14(19)17(2)3)9-10-20-13-8-6-5-7-12(13)15(16)21/h5-8H,4,9-11H2,1-3H3,(H2,16,21)
InChIKeyXPSFAXGOKBIUHF-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.11
Rot. Bonds8

About 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide

2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 61448716) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide
PubChem CID61448716
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CCOc1ccccc1C(N)=S)CC(=O)N(C)C
InChIInChI=1S/C15H23N3O2S/c1-4-18(11-14(19)17(2)3)9-10-20-13-8-6-5-7-12(13)15(16)21/h5-8H,4,9-11H2,1-3H3,(H2,16,21)
InChIKeyXPSFAXGOKBIUHF-UHFFFAOYSA-N
XLogP1.11
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide 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

2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzenecarbothioamide
CID 104552086
3-(2-carbamothioylphenoxy)-N-ethylpropanamide
CID 62324611
1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
CID 117068814
2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 61434361
2-[2-[methyl(2-methylbutyl)amino]ethoxy]benzenecarbothioamide
CID 43295824
2-[(4-carbamothioyl-3-methoxyphenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 106788800
1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one
CID 30287
2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide
CID 54879329
2-(2-carbamothioylphenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63694903
2-nonoxybenzenecarbothioamide
CID 43129448
2-hexoxybenzenecarbothioamide
CID 22684505
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide (CID 61448716) is 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide is CCN(CCOc1ccccc1C(N)=S)CC(=O)N(C)C.
What is the InChIKey of 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is XPSFAXGOKBIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-18(11-14(19)17(2)3)9-10-20-13-8-6-5-7-12(13)15(16)21/h5-8H,4,9-11H2,1-3H3,(H2,16,21).
What are the key properties of 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide?
2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 309.44 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 61448716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).