2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C17H18ClNO3S2 — CID 51247083

IUPAC2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCSc1ccc(Cl)c(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H18ClNO3S2/c1-11(12-4-7-14(8-5-12)24(3,21)22)19-17(20)15-10-13(23-2)6-9-16(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyOCEGQJMVVUXBIS-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.96
Rot. Bonds5

About 2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 51247083) has the molecular formula C17H18ClNO3S2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID51247083
Molecular FormulaC17H18ClNO3S2
Molecular Weight383.92 g/mol
Exact Mass383.04
IUPAC Name2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCSc1ccc(Cl)c(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H18ClNO3S2/c1-11(12-4-7-14(8-5-12)24(3,21)22)19-17(20)15-10-13(23-2)6-9-16(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyOCEGQJMVVUXBIS-UHFFFAOYSA-N
XLogP3.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
2,4-dichloro-5-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46436682
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 45147156
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532925
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide
CID 47110574
5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55607362
2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
CID 51257751
2-chloro-5-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716393
N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
CID 104872927
tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
CID 80999862
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 78811687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 51247083) is 2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CSc1ccc(Cl)c(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is OCEGQJMVVUXBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S2/c1-11(12-4-7-14(8-5-12)24(3,21)22)19-17(20)15-10-13(23-2)6-9-16(15)18/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 383.92 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 51247083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).