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

C15H23N3O2S — CID 63611510

IUPAC2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
SMILESCOCCN(C)CCNC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H23N3O2S/c1-18(9-10-20-2)8-7-17-14(19)11-12-3-5-13(6-4-12)15(16)21/h3-6H,7-11H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyVVPRPRXYKUQWDU-UHFFFAOYSA-N
MW309.44 g/mol
LogP0.56
Rot. Bonds9

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

2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide (PubChem CID 63611510) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
PubChem CID63611510
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
SMILESCOCCN(C)CCNC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H23N3O2S/c1-18(9-10-20-2)8-7-17-14(19)11-12-3-5-13(6-4-12)15(16)21/h3-6H,7-11H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyVVPRPRXYKUQWDU-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 63613701
4-[[2-methoxyethyl(methyl)amino]methyl]benzenecarbothioamide
CID 61427647
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392
2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119855399
2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 61427149
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62850274
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
4-[[2-(4-carbamothioylphenyl)acetyl]amino]butanamide
CID 63591382
2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 63589281
5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide
CID 106237086
2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 63591600

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide (CID 63611510) is 2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide is COCCN(C)CCNC(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide?
The InChIKey is VVPRPRXYKUQWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18(9-10-20-2)8-7-17-14(19)11-12-3-5-13(6-4-12)15(16)21/h3-6H,7-11H2,1-2H3,(H2,16,21)(H,17,19).
What are the key properties of 2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide?
2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide has a molecular weight of 309.44 g/mol, XLogP of 0.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide is sourced from PubChem (CID 63611510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).