N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide

C18H21FN2O2S — CID 124627481

IUPACN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide
SMILESCc1ccc([S@@](=O)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)nc1
InChIInChI=1S/C18H21FN2O2S/c1-12(2)18(14-5-7-15(19)8-6-14)21-16(22)11-24(23)17-9-4-13(3)10-20-17/h4-10,12,18H,11H2,1-3H3,(H,21,22)/t18-,24+/m1/s1
InChIKeyDUQVDSNXFUHWEF-KOSHJBKYSA-N
MW348.44 g/mol
LogP3.15
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide

N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide (PubChem CID 124627481) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide
PubChem CID124627481
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide
SMILESCc1ccc([S@@](=O)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)nc1
InChIInChI=1S/C18H21FN2O2S/c1-12(2)18(14-5-7-15(19)8-6-14)21-16(22)11-24(23)17-9-4-13(3)10-20-17/h4-10,12,18H,11H2,1-3H3,(H,21,22)/t18-,24+/m1/s1
InChIKeyDUQVDSNXFUHWEF-KOSHJBKYSA-N
XLogP3.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 18200777
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 63307815
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 18200774
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid
CID 113292395

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide (CID 124627481) is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide is Cc1ccc([S@@](=O)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)nc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide?
The InChIKey is DUQVDSNXFUHWEF-KOSHJBKYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-12(2)18(14-5-7-15(19)8-6-14)21-16(22)11-24(23)17-9-4-13(3)10-20-17/h4-10,12,18H,11H2,1-3H3,(H,21,22)/t18-,24+/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide?
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide has a molecular weight of 348.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide is sourced from PubChem (CID 124627481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).