N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C19H21BrN2O4S — CID 26536910

IUPACN-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Br
InChIInChI=1S/C19H21BrN2O4S/c20-17-3-1-2-4-18(17)21-19(23)10-7-15-5-8-16(9-6-15)27(24,25)22-11-13-26-14-12-22/h1-6,8-9H,7,10-14H2,(H,21,23)
InChIKeyTYKNGYNBXOXPMJ-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.04
Rot. Bonds6

About N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 26536910) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID26536910
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC NameN-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Br
InChIInChI=1S/C19H21BrN2O4S/c20-17-3-1-2-4-18(17)21-19(23)10-7-15-5-8-16(9-6-15)27(24,25)22-11-13-26-14-12-22/h1-6,8-9H,7,10-14H2,(H,21,23)
InChIKeyTYKNGYNBXOXPMJ-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735
N-(4-bromo-2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26239683
N-(3-chloro-2-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26309208
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2351057
methyl 2-hydroxy-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzoate
CID 56543449
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991439
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 26536910) is N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is TYKNGYNBXOXPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c20-17-3-1-2-4-18(17)21-19(23)10-7-15-5-8-16(9-6-15)27(24,25)22-11-13-26-14-12-22/h1-6,8-9H,7,10-14H2,(H,21,23).
What are the key properties of N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 453.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 26536910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).