4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide

C18H27N3O4S — CID 119550758

IUPAC4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
SMILESCCc1ccc(C(=O)N(C)C2CCNC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O4S/c1-3-14-4-5-15(18(22)20(2)16-6-7-19-13-16)12-17(14)26(23,24)21-8-10-25-11-9-21/h4-5,12,16,19H,3,6-11,13H2,1-2H3
InChIKeyICWSFHMCLNTCJE-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.70
Rot. Bonds5

About 4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide

4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119550758) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119550758
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
SMILESCCc1ccc(C(=O)N(C)C2CCNC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O4S/c1-3-14-4-5-15(18(22)20(2)16-6-7-19-13-16)12-17(14)26(23,24)21-8-10-25-11-9-21/h4-5,12,16,19H,3,6-11,13H2,1-2H3
InChIKeyICWSFHMCLNTCJE-UHFFFAOYSA-N
XLogP0.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510642
3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125147298
N-(3-amino-2,2-dimethylpropyl)-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119653213
N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613574
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
CID 154750787
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 56512642
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058620

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide (CID 119550758) is 4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide is CCc1ccc(C(=O)N(C)C2CCNC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is ICWSFHMCLNTCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-3-14-4-5-15(18(22)20(2)16-6-7-19-13-16)12-17(14)26(23,24)21-8-10-25-11-9-21/h4-5,12,16,19H,3,6-11,13H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide?
4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119550758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).