(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

C20H24N2O4S2 — CID 26189014

IUPAC(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H24N2O4S2/c1-26-17-9-8-15(14-19(17)28(24,25)21-10-2-3-11-21)20(23)22-12-4-6-16(22)18-7-5-13-27-18/h5,7-9,13-14,16H,2-4,6,10-12H2,1H3/t16-/m1/s1
InChIKeyCTGGEAJIMMNRND-MRXNPFEDSA-N
MW420.56 g/mol
LogP3.52
Rot. Bonds5

About (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (PubChem CID 26189014) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
PubChem CID26189014
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC Name(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H24N2O4S2/c1-26-17-9-8-15(14-19(17)28(24,25)21-10-2-3-11-21)20(23)22-12-4-6-16(22)18-7-5-13-27-18/h5,7-9,13-14,16H,2-4,6,10-12H2,1H3/t16-/m1/s1
InChIKeyCTGGEAJIMMNRND-MRXNPFEDSA-N
XLogP3.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 26003172
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 17474274
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 42202447
[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 25433626
[3-methoxy-4-(3-methylbutoxy)phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 112767543
(4-chloro-3-piperidin-1-ylsulfonylphenyl)-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 26682208
[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxyphenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55722299
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
(3-amino-5-methoxyphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 78984399
(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 8916314
N-[2-methyl-5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 55556761
2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152460

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (CID 26189014) is (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is CTGGEAJIMMNRND-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-26-17-9-8-15(14-19(17)28(24,25)21-10-2-3-11-21)20(23)22-12-4-6-16(22)18-7-5-13-27-18/h5,7-9,13-14,16H,2-4,6,10-12H2,1H3/t16-/m1/s1.
What are the key properties of (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 420.56 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 26189014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).