(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide

C19H22FNO3S — CID 51954078

IUPAC(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide
SMILESCc1cccc(CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C19H22FNO3S/c1-14-6-4-8-17(10-14)13-25(23,24)15(2)19(22)21(3)12-16-7-5-9-18(20)11-16/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyRATBFSPWCAPNLK-HNNXBMFYSA-N
MW363.45 g/mol
LogP3.10
Rot. Bonds6

About (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide

(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide (PubChem CID 51954078) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide
PubChem CID51954078
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide
SMILESCc1cccc(CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C19H22FNO3S/c1-14-6-4-8-17(10-14)13-25(23,24)15(2)19(22)21(3)12-16-7-5-9-18(20)11-16/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyRATBFSPWCAPNLK-HNNXBMFYSA-N
XLogP3.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide
CID 47155894
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
3-methyl-2-[methyl-[(3-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186248
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689
2-bromo-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 62855223

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide (CID 51954078) is (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide is Cc1cccc(CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1.
What is the InChIKey of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is RATBFSPWCAPNLK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-14-6-4-8-17(10-14)13-25(23,24)15(2)19(22)21(3)12-16-7-5-9-18(20)11-16/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide?
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 363.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 51954078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).