1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide

C16H21FN2O4S — CID 110626715

IUPAC1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCOCC1)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O4S/c17-14-4-2-1-3-13(14)16(5-6-16)15(20)18-7-12-24(21,22)19-8-10-23-11-9-19/h1-4H,5-12H2,(H,18,20)
InChIKeyYKMQQOBCBIOTCK-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.64
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide (PubChem CID 110626715) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide
PubChem CID110626715
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCOCC1)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O4S/c17-14-4-2-1-3-13(14)16(5-6-16)15(20)18-7-12-24(21,22)19-8-10-23-11-9-19/h1-4H,5-12H2,(H,18,20)
InChIKeyYKMQQOBCBIOTCK-UHFFFAOYSA-N
XLogP0.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110408174
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 46969615
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 16673287
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
3-[2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166425168
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-morpholin-4-ylsulfonylethyl)urea
CID 166182282

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide (CID 110626715) is 1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide is O=C(NCCS(=O)(=O)N1CCOCC1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide?
The InChIKey is YKMQQOBCBIOTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c17-14-4-2-1-3-13(14)16(5-6-16)15(20)18-7-12-24(21,22)19-8-10-23-11-9-19/h1-4H,5-12H2,(H,18,20).
What are the key properties of 1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110626715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).