N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide

C15H22N2O3S — CID 115942077

IUPACN-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
SMILESCC(C)(C)OCCOCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)20-9-8-19-10-13(18)17-12-6-4-11(5-7-12)14(16)21/h4-7H,8-10H2,1-3H3,(H2,16,21)(H,17,18)
InChIKeyLQZPFASTDBLQLU-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.09
Rot. Bonds7

About N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide

N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide (PubChem CID 115942077) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
PubChem CID115942077
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
SMILESCC(C)(C)OCCOCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)20-9-8-19-10-13(18)17-12-6-4-11(5-7-12)14(16)21/h4-7H,8-10H2,1-3H3,(H2,16,21)(H,17,18)
InChIKeyLQZPFASTDBLQLU-UHFFFAOYSA-N
XLogP2.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936159
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate
CID 112603565
N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide
CID 102981860
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide
CID 59408690
N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
N-(4-carbamothioylphenyl)-2,2-dimethylbutanamide
CID 55103346
N-(4-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448483
methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171
N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 115942045

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide (CID 115942077) is N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide is CC(C)(C)OCCOCC(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide?
The InChIKey is LQZPFASTDBLQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(2,3)20-9-8-19-10-13(18)17-12-6-4-11(5-7-12)14(16)21/h4-7H,8-10H2,1-3H3,(H2,16,21)(H,17,18).
What are the key properties of N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide?
N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide has a molecular weight of 310.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide is sourced from PubChem (CID 115942077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).