4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide

C20H25N3O4S — CID 46581143

IUPAC4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCCc1ccc(C(=O)NC(C)c2ccccn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H25N3O4S/c1-3-16-7-8-17(20(24)22-15(2)18-6-4-5-9-21-18)14-19(16)28(25,26)23-10-12-27-13-11-23/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,24)
InChIKeyRVYCOBUYTLUSAA-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.16
Rot. Bonds6

About 4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide

4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 46581143) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID46581143
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCCc1ccc(C(=O)NC(C)c2ccccn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H25N3O4S/c1-3-16-7-8-17(20(24)22-15(2)18-6-4-5-9-21-18)14-19(16)28(25,26)23-10-12-27-13-11-23/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,24)
InChIKeyRVYCOBUYTLUSAA-UHFFFAOYSA-N
XLogP2.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578878
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46401617
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579646
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 39316541
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119606089
4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide (CID 46581143) is 4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide is CCc1ccc(C(=O)NC(C)c2ccccn2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is RVYCOBUYTLUSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-3-16-7-8-17(20(24)22-15(2)18-6-4-5-9-21-18)14-19(16)28(25,26)23-10-12-27-13-11-23/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,24).
What are the key properties of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide?
4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.16, 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-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 46581143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).