N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

C25H27N3O4S — CID 43058760

IUPACN-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)/N=c2/ccccn2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H27N3O4S/c1-2-21-11-12-22(18-23(21)33(30,31)28-14-16-32-17-15-28)25(29)26-24-10-6-7-13-27(24)19-20-8-4-3-5-9-20/h3-13,18H,2,14-17,19H2,1H3/b26-24-
InChIKeyQGSBUFPDYBVMSK-LCUIJRPUSA-N
MW465.58 g/mol
LogP2.86
Rot. Bonds6

About N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 43058760) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID43058760
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)/N=c2/ccccn2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H27N3O4S/c1-2-21-11-12-22(18-23(21)33(30,31)28-14-16-32-17-15-28)25(29)26-24-10-6-7-13-27(24)19-20-8-4-3-5-9-20/h3-13,18H,2,14-17,19H2,1H3/b26-24-
InChIKeyQGSBUFPDYBVMSK-LCUIJRPUSA-N
XLogP2.86
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 60605986
N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide
CID 60584634
N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide
CID 134012890
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058620
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578878
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
CID 46581143

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 43058760) is N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)/N=c2/ccccn2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QGSBUFPDYBVMSK-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-2-21-11-12-22(18-23(21)33(30,31)28-14-16-32-17-15-28)25(29)26-24-10-6-7-13-27(24)19-20-8-4-3-5-9-20/h3-13,18H,2,14-17,19H2,1H3/b26-24-.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 465.58 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43058760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).