(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide

C18H19F2NO2S — CID 8736878

IUPAC(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1C
InChIInChI=1S/C18H19F2NO2S/c1-11-8-9-14(10-12(11)2)24-13(3)17(22)21-15-6-4-5-7-16(15)23-18(19)20/h4-10,13,18H,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyBBRVHQNIVMGESD-ZDUSSCGKSA-N
MW351.42 g/mol
LogP5.02
Rot. Bonds6

About (2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide

(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 8736878) has the molecular formula C18H19F2NO2S and a molecular weight of 351.42 g/mol. Its IUPAC name is (2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide
PubChem CID8736878
Molecular FormulaC18H19F2NO2S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1C
InChIInChI=1S/C18H19F2NO2S/c1-11-8-9-14(10-12(11)2)24-13(3)17(22)21-15-6-4-5-7-16(15)23-18(19)20/h4-10,13,18H,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyBBRVHQNIVMGESD-ZDUSSCGKSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide
CID 8996406
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide
CID 25346916
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2113740
(2S)-N-[2-(difluoromethoxy)phenyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993580
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16514508
(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8940019
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 40810410
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8736843
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide (CID 8736878) is (2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1C.
What is the InChIKey of (2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is BBRVHQNIVMGESD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19F2NO2S/c1-11-8-9-14(10-12(11)2)24-13(3)17(22)21-15-6-4-5-7-16(15)23-18(19)20/h4-10,13,18H,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide?
(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 351.42 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 8736878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).