2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide

C16H22N2O2S — CID 79836851

IUPAC2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(N)cc1OC)C1=CCCC1
InChIInChI=1S/C16H22N2O2S/c1-3-18(13-6-4-5-7-13)16(19)11-21-15-9-8-12(17)10-14(15)20-2/h6,8-10H,3-5,7,11,17H2,1-2H3
InChIKeyWNRUOAYXTOXQTB-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.29
Rot. Bonds6

About 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide

2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 79836851) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID79836851
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(N)cc1OC)C1=CCCC1
InChIInChI=1S/C16H22N2O2S/c1-3-18(13-6-4-5-7-13)16(19)11-21-15-9-8-12(17)10-14(15)20-2/h6,8-10H,3-5,7,11,17H2,1-2H3
InChIKeyWNRUOAYXTOXQTB-UHFFFAOYSA-N
XLogP3.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide
CID 79822776
N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 54911180
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 18193438
(2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93031259
1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79830626
propan-2-yl 2-(4-amino-2-methoxyphenyl)sulfanylacetate
CID 79823041
2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79027227
N-(cyclopenten-1-yl)-2-(2,3-dihydroxypropylsulfanyl)-N-ethylacetamide
CID 79682857
3-methoxy-4-(2-methylidenebutylsulfanyl)aniline
CID 79830261
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 81223051
2-(4-amino-2-methoxyphenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 79836514
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 18193791

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 79836851) is 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CSc1ccc(N)cc1OC)C1=CCCC1.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is WNRUOAYXTOXQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-18(13-6-4-5-7-13)16(19)11-21-15-9-8-12(17)10-14(15)20-2/h6,8-10H,3-5,7,11,17H2,1-2H3.
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 306.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 79836851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).