4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine

C21H29N3O4S — CID 139743225

IUPAC4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine
SMILESCCC1CCCN1c1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)[nH]1
InChIInChI=1S/C21H29N3O4S/c1-3-16-5-4-10-24(16)21-9-7-19(22-21)18-15-17(6-8-20(18)27-2)29(25,26)23-11-13-28-14-12-23/h6-9,15-16,22H,3-5,10-14H2,1-2H3
InChIKeyCWCKPBLGWBETGV-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.09
Rot. Bonds6

About 4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine

4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine (PubChem CID 139743225) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine
PubChem CID139743225
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine
SMILESCCC1CCCN1c1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)[nH]1
InChIInChI=1S/C21H29N3O4S/c1-3-16-5-4-10-24(16)21-9-7-19(22-21)18-15-17(6-8-20(18)27-2)29(25,26)23-11-13-28-14-12-23/h6-9,15-16,22H,3-5,10-14H2,1-2H3
InChIKeyCWCKPBLGWBETGV-UHFFFAOYSA-N
XLogP3.09
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 166828516
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[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
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(2R)-1-[[5-[5-(azetidin-1-ylsulfonyl)-2-methoxyphenyl]-1H-pyrrol-2-yl]methyl]-2-phenylazepane
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ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
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CID 61060166
4-(3-isothiocyanato-4-methoxyphenyl)sulfonylmorpholine
CID 86665423
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
CID 9489943

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine (CID 139743225) is 4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine is CCC1CCCN1c1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)[nH]1.
What is the InChIKey of 4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine?
The InChIKey is CWCKPBLGWBETGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-3-16-5-4-10-24(16)21-9-7-19(22-21)18-15-17(6-8-20(18)27-2)29(25,26)23-11-13-28-14-12-23/h6-9,15-16,22H,3-5,10-14H2,1-2H3.
What are the key properties of 4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine?
4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine has a molecular weight of 419.55 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(2-ethylpyrrolidin-1-yl)-1H-pyrrol-2-yl]-4-methoxyphenyl]sulfonylmorpholine is sourced from PubChem (CID 139743225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).