1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide

C24H30FN3O4S — CID 17488224

IUPAC1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)N2CCCC2)cc1
InChIInChI=1S/C24H30FN3O4S/c1-32-20-10-6-18(7-11-20)23(27-14-2-3-15-27)17-26-24(29)22-5-4-16-28(22)33(30,31)21-12-8-19(25)9-13-21/h6-13,22-23H,2-5,14-17H2,1H3,(H,26,29)
InChIKeyMHXNSPBGLHSZAZ-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.94
Rot. Bonds8

About 1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 17488224) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
PubChem CID17488224
Molecular FormulaC24H30FN3O4S
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)N2CCCC2)cc1
InChIInChI=1S/C24H30FN3O4S/c1-32-20-10-6-18(7-11-20)23(27-14-2-3-15-27)17-26-24(29)22-5-4-16-28(22)33(30,31)21-12-8-19(25)9-13-21/h6-13,22-23H,2-5,14-17H2,1H3,(H,26,29)
InChIKeyMHXNSPBGLHSZAZ-UHFFFAOYSA-N
XLogP2.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31140460
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[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394932
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CID 78866856
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
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CID 51071510
1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide (CID 17488224) is 1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide is COc1ccc(C(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)N2CCCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is MHXNSPBGLHSZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c1-32-20-10-6-18(7-11-20)23(27-14-2-3-15-27)17-26-24(29)22-5-4-16-28(22)33(30,31)21-12-8-19(25)9-13-21/h6-13,22-23H,2-5,14-17H2,1H3,(H,26,29).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 17488224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).