N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide

C19H21F2NO2S — CID 97233460

IUPACN-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide
SMILESC[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CCSc1ccccc1F
InChIInChI=1S/C19H21F2NO2S/c1-13(12-17(23)14-6-8-15(20)9-7-14)22-19(24)10-11-25-18-5-3-2-4-16(18)21/h2-9,13,17,23H,10-12H2,1H3,(H,22,24)/t13-,17+/m0/s1
InChIKeyHKQPIIVPJWBILD-SUMWQHHRSA-N
MW365.45 g/mol
LogP4.08
Rot. Bonds8

About N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide

N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 97233460) has the molecular formula C19H21F2NO2S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide
PubChem CID97233460
Molecular FormulaC19H21F2NO2S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide
SMILESC[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CCSc1ccccc1F
InChIInChI=1S/C19H21F2NO2S/c1-13(12-17(23)14-6-8-15(20)9-7-14)22-19(24)10-11-25-18-5-3-2-4-16(18)21/h2-9,13,17,23H,10-12H2,1H3,(H,22,24)/t13-,17+/m0/s1
InChIKeyHKQPIIVPJWBILD-SUMWQHHRSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide (CID 97233460) is N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide is C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CCSc1ccccc1F.
What is the InChIKey of N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is HKQPIIVPJWBILD-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H21F2NO2S/c1-13(12-17(23)14-6-8-15(20)9-7-14)22-19(24)10-11-25-18-5-3-2-4-16(18)21/h2-9,13,17,23H,10-12H2,1H3,(H,22,24)/t13-,17+/m0/s1.
What are the key properties of N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide?
N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 365.45 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 97233460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).