N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide

C14H20N2O2S — CID 24707112

IUPACN-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide
SMILESCC(C)CCOCC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-10(2)7-8-18-9-13(17)16-12-6-4-3-5-11(12)14(15)19/h3-6,10H,7-9H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyTYMHVTIUVBTBLW-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.32
Rot. Bonds7

About N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide

N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide (PubChem CID 24707112) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide
PubChem CID24707112
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide
SMILESCC(C)CCOCC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-10(2)7-8-18-9-13(17)16-12-6-4-3-5-11(12)14(15)19/h3-6,10H,7-9H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyTYMHVTIUVBTBLW-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
N-(2-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158645
2-(3-methylbutoxymethyl)benzenecarbothioamide
CID 24709954
N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29002285
(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid
CID 104875798
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide
CID 39160595
N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287172
methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848385
2-butoxy-N-(2-carbamothioylphenyl)propanamide
CID 43267700
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
2-[2-(3-methylbutoxy)ethoxy]benzenecarbothioamide
CID 43291145

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide (CID 24707112) is N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide is CC(C)CCOCC(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide?
The InChIKey is TYMHVTIUVBTBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(2)7-8-18-9-13(17)16-12-6-4-3-5-11(12)14(15)19/h3-6,10H,7-9H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide?
N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide is sourced from PubChem (CID 24707112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).