(2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

C21H25FN2O4S — CID 1033136

IUPAC(2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H25FN2O4S/c1-15-11-13-24(14-12-15)29(26,27)20-9-5-18(6-10-20)23-21(25)16(2)28-19-7-3-17(22)4-8-19/h3-10,15-16H,11-14H2,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyUKPZNZIULIMJKP-MRXNPFEDSA-N
MW420.51 g/mol
LogP3.65
Rot. Bonds6

About (2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

(2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (PubChem CID 1033136) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
PubChem CID1033136
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H25FN2O4S/c1-15-11-13-24(14-12-15)29(26,27)20-9-5-18(6-10-20)23-21(25)16(2)28-19-7-3-17(22)4-8-19/h3-10,15-16H,11-14H2,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyUKPZNZIULIMJKP-MRXNPFEDSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
(2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 42505330
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 4943957
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
CID 42022358
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 34033203
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046270
(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 26075032
(2R)-2-(4-cyanophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7503277
2-(2,4-difluorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17070647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (CID 1033136) is (2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is UKPZNZIULIMJKP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-15-11-13-24(14-12-15)29(26,27)20-9-5-18(6-10-20)23-21(25)16(2)28-19-7-3-17(22)4-8-19/h3-10,15-16H,11-14H2,1-2H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
(2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 420.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 1033136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).