2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide

C14H18N2O2S — CID 107656363

IUPAC2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCc1ccc(C(N)=S)cc1OCC(=O)NCC1CC1
InChIInChI=1S/C14H18N2O2S/c1-9-2-5-11(14(15)19)6-12(9)18-8-13(17)16-7-10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H2,15,19)(H,16,17)
InChIKeyDOWPPZIDQRIBRG-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.53
Rot. Bonds6

About 2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide

2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide (PubChem CID 107656363) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
PubChem CID107656363
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCc1ccc(C(N)=S)cc1OCC(=O)NCC1CC1
InChIInChI=1S/C14H18N2O2S/c1-9-2-5-11(14(15)19)6-12(9)18-8-13(17)16-7-10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H2,15,19)(H,16,17)
InChIKeyDOWPPZIDQRIBRG-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.53
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

2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide
CID 61388197
2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 107656439
2-(5-carbamothioyl-2-methylphenoxy)-N-carbamoylacetamide
CID 107656441
2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 103760377
2-(5-carbamothioyl-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 107656503
2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107656260
4-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 60698794
2-(5-carbamothioyl-2-methylphenoxy)-N,N-dimethylacetamide
CID 107656284
3-amino-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 43379773
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide
CID 102702513
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide (CID 107656363) is 2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide is Cc1ccc(C(N)=S)cc1OCC(=O)NCC1CC1.
What is the InChIKey of 2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide?
The InChIKey is DOWPPZIDQRIBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-2-5-11(14(15)19)6-12(9)18-8-13(17)16-7-10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide?
2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 107656363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).