(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C19H29N3O4S — CID 119649218

IUPAC(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC2CNC)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H29N3O4S/c1-3-15-6-7-16(19(23)22-8-4-5-17(22)14-20-2)13-18(15)27(24,25)21-9-11-26-12-10-21/h6-7,13,17,20H,3-5,8-12,14H2,1-2H3
InChIKeyVVNKVFAFUYXMJL-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.09
Rot. Bonds6

About (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119649218) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119649218
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC2CNC)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H29N3O4S/c1-3-15-6-7-16(19(23)22-8-4-5-17(22)14-20-2)13-18(15)27(24,25)21-9-11-26-12-10-21/h6-7,13,17,20H,3-5,8-12,14H2,1-2H3
InChIKeyVVNKVFAFUYXMJL-UHFFFAOYSA-N
XLogP1.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631558
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 56512642
[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55578649
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631968
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510642
(4-ethylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651635
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651081
(4-chloro-3-iodophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651989

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119649218) is (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CCc1ccc(C(=O)N2CCCC2CNC)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is VVNKVFAFUYXMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-3-15-6-7-16(19(23)22-8-4-5-17(22)14-20-2)13-18(15)27(24,25)21-9-11-26-12-10-21/h6-7,13,17,20H,3-5,8-12,14H2,1-2H3.
What are the key properties of (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 395.53 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119649218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).