2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide

C15H22N2O3S — CID 61388239

IUPAC2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide
SMILESCCOc1cc(C(N)=S)ccc1OCC(=O)NCC(C)C
InChIInChI=1S/C15H22N2O3S/c1-4-19-13-7-11(15(16)21)5-6-12(13)20-9-14(18)17-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H2,16,21)(H,17,18)
InChIKeyNXMOWXPVWDCMRV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.87
Rot. Bonds8

About 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide

2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 61388239) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID61388239
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide
SMILESCCOc1cc(C(N)=S)ccc1OCC(=O)NCC(C)C
InChIInChI=1S/C15H22N2O3S/c1-4-19-13-7-11(15(16)21)5-6-12(13)20-9-14(18)17-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H2,16,21)(H,17,18)
InChIKeyNXMOWXPVWDCMRV-UHFFFAOYSA-N
XLogP1.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.87
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-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide
CID 61388197
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide
CID 82064208
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 103567401
3-ethoxy-4-(2-methoxypropoxy)benzenecarbothioamide
CID 113382777
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
3-(4-carbamothioyl-2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623798
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43627207

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide (CID 61388239) is 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide is CCOc1cc(C(N)=S)ccc1OCC(=O)NCC(C)C.
What is the InChIKey of 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is NXMOWXPVWDCMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-19-13-7-11(15(16)21)5-6-12(13)20-9-14(18)17-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H2,16,21)(H,17,18).
What are the key properties of 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide?
2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 61388239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).