N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide

C17H21FN2O5S — CID 46948300

IUPACN-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C)(C(=O)NS(=O)(=O)C3CC3)C2)cc1F
InChIInChI=1S/C17H21FN2O5S/c1-17(16(22)19-26(23,24)12-4-5-12)7-8-20(10-17)15(21)11-3-6-14(25-2)13(18)9-11/h3,6,9,12H,4-5,7-8,10H2,1-2H3,(H,19,22)
InChIKeyKXUJEEUOKREFKQ-UHFFFAOYSA-N
MW384.43 g/mol
LogP1.29
Rot. Bonds5

About N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide

N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 46948300) has the molecular formula C17H21FN2O5S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID46948300
Molecular FormulaC17H21FN2O5S
Molecular Weight384.43 g/mol
Exact Mass384.12
IUPAC NameN-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C)(C(=O)NS(=O)(=O)C3CC3)C2)cc1F
InChIInChI=1S/C17H21FN2O5S/c1-17(16(22)19-26(23,24)12-4-5-12)7-8-20(10-17)15(21)11-3-6-14(25-2)13(18)9-11/h3,6,9,12H,4-5,7-8,10H2,1-2H3,(H,19,22)
InChIKeyKXUJEEUOKREFKQ-UHFFFAOYSA-N
XLogP1.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 46942789
[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 99795437
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 107160164
(3-fluoro-4-methoxyphenyl)-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 127248054
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
(3-fluoro-4-methoxyphenyl)-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 97485481
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
[(4aR,8aR)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 97363235
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138809547
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115275231

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide (CID 46948300) is N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide is COc1ccc(C(=O)N2CCC(C)(C(=O)NS(=O)(=O)C3CC3)C2)cc1F.
What is the InChIKey of N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is KXUJEEUOKREFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O5S/c1-17(16(22)19-26(23,24)12-4-5-12)7-8-20(10-17)15(21)11-3-6-14(25-2)13(18)9-11/h3,6,9,12H,4-5,7-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide?
N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46948300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).