N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide

C14H20N2O2S — CID 29002285

IUPACN-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-14(2,3)18-9-8-12(17)16-11-7-5-4-6-10(11)13(15)19/h4-7H,8-9H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyNZIWZDLARBSPLZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.46
Rot. Bonds5

About N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide

N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 29002285) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID29002285
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-14(2,3)18-9-8-12(17)16-11-7-5-4-6-10(11)13(15)19/h4-7H,8-9H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyNZIWZDLARBSPLZ-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995274
N-(2-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24705607
N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427702
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43128232
N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide
CID 24707112
N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63981248
2-(3-aminopropanoylamino)benzamide
CID 22692052
N-(4-bromo-2-carbamothioylphenyl)-3-methoxypropanamide
CID 82703652
N-[2-carbamothioyl-4-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 115911387
N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995566

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 29002285) is N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)OCCC(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is NZIWZDLARBSPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-14(2,3)18-9-8-12(17)16-11-7-5-4-6-10(11)13(15)19/h4-7H,8-9H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 280.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 29002285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).