4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide

C20H22BrN3O5S — CID 26249725

IUPAC4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22BrN3O5S/c21-16-3-1-15(2-4-16)20(26)22-10-9-19(25)23-17-5-7-18(8-6-17)30(27,28)24-11-13-29-14-12-24/h1-8H,9-14H2,(H,22,26)(H,23,25)
InChIKeyZCVADJFLNXZROF-UHFFFAOYSA-N
MW496.38 g/mol
LogP2.23
Rot. Bonds7

About 4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide

4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide (PubChem CID 26249725) has the molecular formula C20H22BrN3O5S and a molecular weight of 496.38 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
PubChem CID26249725
Molecular FormulaC20H22BrN3O5S
Molecular Weight496.38 g/mol
Exact Mass495.05
IUPAC Name4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22BrN3O5S/c21-16-3-1-15(2-4-16)20(26)22-10-9-19(25)23-17-5-7-18(8-6-17)30(27,28)24-11-13-29-14-12-24/h1-8H,9-14H2,(H,22,26)(H,23,25)
InChIKeyZCVADJFLNXZROF-UHFFFAOYSA-N
XLogP2.23
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-bromo-3-(morpholinosulfonyl)benzamide
CID 1076739
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
3-bromo-4-methyl-N-[4-(morpholin-4-ylsulfonyl)phenyl]benzamide
CID 1013383
2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 4173596
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(morpholin-4-ylsulfonyl)benzamide
CID 3238418
3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 3240611
3-(morpholin-4-ylsulfonyl)-N-[2-(piperidin-1-ylcarbonyl)phenyl]benzamide
CID 3245349
N-(4-Bromophenyl)-4-methyl-3-(morpholine-4-sulfonyl)benzamide
CID 1119024
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide (CID 26249725) is 4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
The InChIKey is ZCVADJFLNXZROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O5S/c21-16-3-1-15(2-4-16)20(26)22-10-9-19(25)23-17-5-7-18(8-6-17)30(27,28)24-11-13-29-14-12-24/h1-8H,9-14H2,(H,22,26)(H,23,25).
What are the key properties of 4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide has a molecular weight of 496.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 26249725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).