N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

C21H25BrN2O4S — CID 55578878

IUPACN-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NC(C)c2ccccc2Br)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H25BrN2O4S/c1-3-16-8-9-17(14-20(16)29(26,27)24-10-12-28-13-11-24)21(25)23-15(2)18-6-4-5-7-19(18)22/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)
InChIKeySWYPHIBNYAPPQK-UHFFFAOYSA-N
MW481.41 g/mol
LogP3.52
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55578878) has the molecular formula C21H25BrN2O4S and a molecular weight of 481.41 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55578878
Molecular FormulaC21H25BrN2O4S
Molecular Weight481.41 g/mol
Exact Mass480.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NC(C)c2ccccc2Br)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H25BrN2O4S/c1-3-16-8-9-17(14-20(16)29(26,27)24-10-12-28-13-11-24)21(25)23-15(2)18-6-4-5-7-19(18)22/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)
InChIKeySWYPHIBNYAPPQK-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
CID 46581143
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579646
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46401617
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 112762593
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26883051
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058620
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30840402
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 55578878) is N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)NC(C)c2ccccc2Br)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SWYPHIBNYAPPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4S/c1-3-16-8-9-17(14-20(16)29(26,27)24-10-12-28-13-11-24)21(25)23-15(2)18-6-4-5-7-19(18)22/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 481.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55578878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).