2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide

C16H22N2O2S — CID 61442997

IUPAC2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C16H22N2O2S/c1-2-9-18(10-12-7-8-12)15(19)11-20-14-6-4-3-5-13(14)16(17)21/h3-6,12H,2,7-11H2,1H3,(H2,17,21)
InChIKeyYGIUVBWBIKHCQW-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.35
Rot. Bonds8

About 2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide

2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide (PubChem CID 61442997) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
PubChem CID61442997
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C16H22N2O2S/c1-2-9-18(10-12-7-8-12)15(19)11-20-14-6-4-3-5-13(14)16(17)21/h3-6,12H,2,7-11H2,1H3,(H2,17,21)
InChIKeyYGIUVBWBIKHCQW-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.35
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-aminophenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 43587192
2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide
CID 64520553
2-(2-acetylphenoxy)-N,N-dipropylacetamide
CID 82312013
2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102862530
2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43569454
2-(2-carbamothioylphenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63694903
2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide
CID 54879329
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide
CID 112786589
2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 24534041
N-(cyclopropylmethyl)-2-ethoxy-N-propylacetamide
CID 60637735
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide (CID 61442997) is 2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide is CCCN(CC1CC1)C(=O)COc1ccccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide?
The InChIKey is YGIUVBWBIKHCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-9-18(10-12-7-8-12)15(19)11-20-14-6-4-3-5-13(14)16(17)21/h3-6,12H,2,7-11H2,1H3,(H2,17,21).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide?
2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide has a molecular weight of 306.43 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide is sourced from PubChem (CID 61442997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).