2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide

C16H20N2O2S — CID 64520553

IUPAC2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C16H20N2O2S/c17-16(21)13-3-1-2-4-14(13)20-10-15(19)18(12-7-8-12)9-11-5-6-11/h1-4,11-12H,5-10H2,(H2,17,21)
InChIKeyJHLGFXDTCPZKIT-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.10
Rot. Bonds7

About 2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide

2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide (PubChem CID 64520553) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide
PubChem CID64520553
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C16H20N2O2S/c17-16(21)13-3-1-2-4-14(13)20-10-15(19)18(12-7-8-12)9-11-5-6-11/h1-4,11-12H,5-10H2,(H2,17,21)
InChIKeyJHLGFXDTCPZKIT-UHFFFAOYSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102862530
2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 61442997
2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60827374
2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43569454
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide
CID 54879329
2-(2-carbamothioylphenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63694903
2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethoxy]benzenecarbothioamide
CID 43246300
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
2-[2-(2-methylpyrrolidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 54882490
2-(2-cyclopropyl-2-oxoethoxy)benzamide
CID 63913562
2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide
CID 62094351

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide (CID 64520553) is 2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide is NC(=S)c1ccccc1OCC(=O)N(CC1CC1)C1CC1.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide?
The InChIKey is JHLGFXDTCPZKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-16(21)13-3-1-2-4-14(13)20-10-15(19)18(12-7-8-12)9-11-5-6-11/h1-4,11-12H,5-10H2,(H2,17,21).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide?
2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide has a molecular weight of 304.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 64520553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).