N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide

C17H26N2O5S — CID 70725043

IUPACN-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(OC)c2)C[C@H]1NC(C)=O
InChIInChI=1S/C17H26N2O5S/c1-5-6-13-10-19(11-15(13)18-12(2)20)25(21,22)14-7-8-16(23-3)17(9-14)24-4/h7-9,13,15H,5-6,10-11H2,1-4H3,(H,18,20)/t13-,15-/m1/s1
InChIKeyBMOMOYJHDIIUPL-UKRRQHHQSA-N
MW370.47 g/mol
LogP1.63
Rot. Bonds7

About N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 70725043) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide
PubChem CID70725043
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC NameN-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(OC)c2)C[C@H]1NC(C)=O
InChIInChI=1S/C17H26N2O5S/c1-5-6-13-10-19(11-15(13)18-12(2)20)25(21,22)14-7-8-16(23-3)17(9-14)24-4/h7-9,13,15H,5-6,10-11H2,1-4H3,(H,18,20)/t13-,15-/m1/s1
InChIKeyBMOMOYJHDIIUPL-UKRRQHHQSA-N
XLogP1.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide (CID 70725043) is N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(OC)c2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is BMOMOYJHDIIUPL-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-5-6-13-10-19(11-15(13)18-12(2)20)25(21,22)14-7-8-16(23-3)17(9-14)24-4/h7-9,13,15H,5-6,10-11H2,1-4H3,(H,18,20)/t13-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70725043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).