2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide

C21H23FN2O4S — CID 86955889

IUPAC2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CC2c2ccccc2F)ccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H23FN2O4S/c1-28-19-12-14(8-9-20(19)29(26,27)24-10-4-5-11-24)23-21(25)17-13-16(17)15-6-2-3-7-18(15)22/h2-3,6-9,12,16-17H,4-5,10-11,13H2,1H3,(H,23,25)
InChIKeyKIXHLPMVTAVKTO-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.36
Rot. Bonds6

About 2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide

2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 86955889) has the molecular formula C21H23FN2O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID86955889
Molecular FormulaC21H23FN2O4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC Name2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CC2c2ccccc2F)ccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H23FN2O4S/c1-28-19-12-14(8-9-20(19)29(26,27)24-10-4-5-11-24)23-21(25)17-13-16(17)15-6-2-3-7-18(15)22/h2-3,6-9,12,16-17H,4-5,10-11,13H2,1H3,(H,23,25)
InChIKeyKIXHLPMVTAVKTO-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55584408
2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 60582319
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
CID 95054873
methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoate
CID 97184245
cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 52528491
trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide
CID 167767814
N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide
CID 119790367
trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 41036811
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742152
3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 86955894
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 92685178

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide (CID 86955889) is 2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide is COc1cc(NC(=O)C2CC2c2ccccc2F)ccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is KIXHLPMVTAVKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4S/c1-28-19-12-14(8-9-20(19)29(26,27)24-10-4-5-11-24)23-21(25)17-13-16(17)15-6-2-3-7-18(15)22/h2-3,6-9,12,16-17H,4-5,10-11,13H2,1H3,(H,23,25).
What are the key properties of 2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide?
2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86955889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).