(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone

C18H27N3O3S — CID 110614017

IUPAC(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESCCC1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C18H27N3O3S/c1-3-16-7-5-9-21(16)18(22)15-6-4-8-17(14-15)25(23,24)20-12-10-19(2)11-13-20/h4,6,8,14,16H,3,5,7,9-13H2,1-2H3
InChIKeyBUTMXYFSCWGDJU-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.64
Rot. Bonds4

About (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone

(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone (PubChem CID 110614017) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
PubChem CID110614017
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESCCC1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C18H27N3O3S/c1-3-16-7-5-9-21(16)18(22)15-6-4-8-17(14-15)25(23,24)20-12-10-19(2)11-13-20/h4,6,8,14,16H,3,5,7,9-13H2,1-2H3
InChIKeyBUTMXYFSCWGDJU-UHFFFAOYSA-N
XLogP1.64
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109065552
3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 54885699
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
CID 119467046
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969125
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
[3-(aminomethyl)pyrrolidin-1-yl]-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methanone
CID 74246694
(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110354731
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 47952525

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone (CID 110614017) is (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone is CCC1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
The InChIKey is BUTMXYFSCWGDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-3-16-7-5-9-21(16)18(22)15-6-4-8-17(14-15)25(23,24)20-12-10-19(2)11-13-20/h4,6,8,14,16H,3,5,7,9-13H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone has a molecular weight of 365.50 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 110614017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).