3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C20H23FN2O4S — CID 86955894

IUPAC3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1cc(NC(=O)CCc2cccc(F)c2)ccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H23FN2O4S/c1-27-18-14-17(8-9-19(18)28(25,26)23-11-2-3-12-23)22-20(24)10-7-15-5-4-6-16(21)13-15/h4-6,8-9,13-14H,2-3,7,10-12H2,1H3,(H,22,24)
InChIKeyLFAOVQNJVRIYCV-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.19
Rot. Bonds7

About 3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide

3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 86955894) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID86955894
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1cc(NC(=O)CCc2cccc(F)c2)ccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H23FN2O4S/c1-27-18-14-17(8-9-19(18)28(25,26)23-11-2-3-12-23)22-20(24)10-7-15-5-4-6-16(21)13-15/h4-6,8-9,13-14H,2-3,7,10-12H2,1H3,(H,22,24)
InChIKeyLFAOVQNJVRIYCV-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 34367905
4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 120562885
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3-fluorophenyl)acetamide
CID 9390373
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
N-[3-methoxy-4-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-3-phenylpropanamide
CID 89237597
3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 38905184
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide
CID 110623309
N-[3-methoxy-4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-3-phenylpropanamide
CID 89236476
N-[2-(3-fluorophenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26996547

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 86955894) is 3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide is COc1cc(NC(=O)CCc2cccc(F)c2)ccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is LFAOVQNJVRIYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-27-18-14-17(8-9-19(18)28(25,26)23-11-2-3-12-23)22-20(24)10-7-15-5-4-6-16(21)13-15/h4-6,8-9,13-14H,2-3,7,10-12H2,1H3,(H,22,24).
What are the key properties of 3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 406.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 86955894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).