N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

C17H16ClF2NO2S — CID 24500487

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2NO2S/c1-9-6-15(16(23-3)8-12(9)18)21-17(22)10(2)24-11-4-5-13(19)14(20)7-11/h4-8,10H,1-3H3,(H,21,22)
InChIKeyKZLZVPURBRXPHE-UHFFFAOYSA-N
MW371.84 g/mol
LogP5.05
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (PubChem CID 24500487) has the molecular formula C17H16ClF2NO2S and a molecular weight of 371.84 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
PubChem CID24500487
Molecular FormulaC17H16ClF2NO2S
Molecular Weight371.84 g/mol
Exact Mass371.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2NO2S/c1-9-6-15(16(23-3)8-12(9)18)21-17(22)10(2)24-11-4-5-13(19)14(20)7-11/h4-8,10H,1-3H3,(H,21,22)
InChIKeyKZLZVPURBRXPHE-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.84
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 23914557
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 84919661
(2S)-2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 8948763
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310309
N-[4-[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 22780210
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)propanamide
CID 9055678
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7737162
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8888624
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23099783

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (CID 24500487) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is COc1cc(Cl)c(C)cc1NC(=O)C(C)Sc1ccc(F)c(F)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is KZLZVPURBRXPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO2S/c1-9-6-15(16(23-3)8-12(9)18)21-17(22)10(2)24-11-4-5-13(19)14(20)7-11/h4-8,10H,1-3H3,(H,21,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 371.84 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 24500487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).