(5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione

C18H26N4O5S — CID 99799656

IUPAC(5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione
SMILESCCN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1
InChIInChI=1S/C18H26N4O5S/c1-5-21(3)12-8-9-22(11-12)28(25,26)13-6-7-15(27-4)14(10-13)18(2)16(23)19-17(24)20-18/h6-7,10,12H,5,8-9,11H2,1-4H3,(H2,19,20,23,24)/t12-,18-/m1/s1
InChIKeyUSRCMXCVNRKBHJ-KZULUSFZSA-N
MW410.50 g/mol
LogP0.46
Rot. Bonds6

About (5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione

(5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 99799656) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is (5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione
PubChem CID99799656
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC Name(5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione
SMILESCCN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1
InChIInChI=1S/C18H26N4O5S/c1-5-21(3)12-8-9-22(11-12)28(25,26)13-6-7-15(27-4)14(10-13)18(2)16(23)19-17(24)20-18/h6-7,10,12H,5,8-9,11H2,1-4H3,(H2,19,20,23,24)/t12-,18-/m1/s1
InChIKeyUSRCMXCVNRKBHJ-KZULUSFZSA-N
XLogP0.46
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-[5-[(3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione
CID 129001398
4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119966018
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119960766
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974457
5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 47075418
dimethyl 5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 99799663
2-chloro-5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 99799665
5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one
CID 126788330
2-[5-[3-(2,2-difluorocyclopropyl)piperidin-1-yl]sulfonyl-2-methoxyphenyl]acetic acid
CID 166301828
5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82129747
2-methoxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 81438557
[1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623937

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione (CID 99799656) is (5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione is CCN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1.
What is the InChIKey of (5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is USRCMXCVNRKBHJ-KZULUSFZSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-5-21(3)12-8-9-22(11-12)28(25,26)13-6-7-15(27-4)14(10-13)18(2)16(23)19-17(24)20-18/h6-7,10,12H,5,8-9,11H2,1-4H3,(H2,19,20,23,24)/t12-,18-/m1/s1.
What are the key properties of (5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 410.50 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 99799656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).