2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide

C19H20FNO2S — CID 95763756

IUPAC2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(C[S@](=O)Cc1ccc(F)cc1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C19H20FNO2S/c20-17-8-6-15(7-9-17)12-24(23)13-18(22)21-14-19(10-11-19)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,22)/t24-/m1/s1
InChIKeyMMTHVSBXLYZAKV-XMMPIXPASA-N
MW345.44 g/mol
LogP2.92
Rot. Bonds7

About 2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide

2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 95763756) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID95763756
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(C[S@](=O)Cc1ccc(F)cc1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C19H20FNO2S/c20-17-8-6-15(7-9-17)12-24(23)13-18(22)21-14-19(10-11-19)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,22)/t24-/m1/s1
InChIKeyMMTHVSBXLYZAKV-XMMPIXPASA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(2-methylphenoxy)acetamide
CID 42266086
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110480778
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110443182

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 95763756) is 2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide is O=C(C[S@](=O)Cc1ccc(F)cc1)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is MMTHVSBXLYZAKV-XMMPIXPASA-N. The full InChI is InChI=1S/C19H20FNO2S/c20-17-8-6-15(7-9-17)12-24(23)13-18(22)21-14-19(10-11-19)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,22)/t24-/m1/s1.
What are the key properties of 2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 95763756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).