N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide

C19H23NO2S — CID 51151939

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1SC(C)C
InChIInChI=1S/C19H23NO2S/c1-14(2)23-18-11-7-5-9-16(18)19(21)20-13-12-15-8-4-6-10-17(15)22-3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyDXPLQNRBKQOWDW-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide

N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 51151939) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
PubChem CID51151939
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1SC(C)C
InChIInChI=1S/C19H23NO2S/c1-14(2)23-18-11-7-5-9-16(18)19(21)20-13-12-15-8-4-6-10-17(15)22-3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyDXPLQNRBKQOWDW-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 33091613
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
N-[2-(2-methoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36653546
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
CID 119498074
N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 78771297
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 103882028
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide (CID 51151939) is N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide is COc1ccccc1CCNC(=O)c1ccccc1SC(C)C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is DXPLQNRBKQOWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14(2)23-18-11-7-5-9-16(18)19(21)20-13-12-15-8-4-6-10-17(15)22-3/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide?
N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 329.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 51151939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).