4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide

C16H23ClN2O2S — CID 119817018

IUPAC4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide
SMILESCCSC1CCC(N(C)C(=O)c2cc(Cl)c(N)cc2OC)C1
InChIInChI=1S/C16H23ClN2O2S/c1-4-22-11-6-5-10(7-11)19(2)16(20)12-8-13(17)14(18)9-15(12)21-3/h8-11H,4-7,18H2,1-3H3
InChIKeyVZWDGHWRJZSBKS-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.68
Rot. Bonds5

About 4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide

4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide (PubChem CID 119817018) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide
PubChem CID119817018
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC Name4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide
SMILESCCSC1CCC(N(C)C(=O)c2cc(Cl)c(N)cc2OC)C1
InChIInChI=1S/C16H23ClN2O2S/c1-4-22-11-6-5-10(7-11)19(2)16(20)12-8-13(17)14(18)9-15(12)21-3/h8-11H,4-7,18H2,1-3H3
InChIKeyVZWDGHWRJZSBKS-UHFFFAOYSA-N
XLogP3.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.68
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

5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride
CID 120638288
4-amino-5-chloro-2-methoxy-N-methyl-N-piperidin-4-ylbenzamide;7-methylbicyclo[2.2.1]hepta-1,3,5-triene
CID 20513285
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 119814555
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 119672646
4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 119802021
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
2-amino-N-cyclopropyl-N-ethyl-4,5-dimethoxybenzamide
CID 43263713
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82183835

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide?
The IUPAC name of 4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide (CID 119817018) is 4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide is CCSC1CCC(N(C)C(=O)c2cc(Cl)c(N)cc2OC)C1.
What is the InChIKey of 4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide?
The InChIKey is VZWDGHWRJZSBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c1-4-22-11-6-5-10(7-11)19(2)16(20)12-8-13(17)14(18)9-15(12)21-3/h8-11H,4-7,18H2,1-3H3.
What are the key properties of 4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide?
4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide has a molecular weight of 342.89 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 119817018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).