4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide

C19H20BrN3O4S — CID 24582386

IUPAC4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H20BrN3O4S/c20-14-6-4-13(5-7-14)19(25)21-11-10-18(24)22-16-2-1-3-17(12-16)28(26,27)23-15-8-9-15/h1-7,12,15,23H,8-11H2,(H,21,25)(H,22,24)
InChIKeyURPOJUUKXIXFDB-UHFFFAOYSA-N
MW466.36 g/mol
LogP2.65
Rot. Bonds8

About 4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide

4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide (PubChem CID 24582386) has the molecular formula C19H20BrN3O4S and a molecular weight of 466.36 g/mol. Its IUPAC name is 4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide
PubChem CID24582386
Molecular FormulaC19H20BrN3O4S
Molecular Weight466.36 g/mol
Exact Mass465.04
IUPAC Name4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H20BrN3O4S/c20-14-6-4-13(5-7-14)19(25)21-11-10-18(24)22-16-2-1-3-17(12-16)28(26,27)23-15-8-9-15/h1-7,12,15,23H,8-11H2,(H,21,25)(H,22,24)
InChIKeyURPOJUUKXIXFDB-UHFFFAOYSA-N
XLogP2.65
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.36
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55879006
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 38140750
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 43347060
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 24646324
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide (CID 24582386) is 4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide?
The InChIKey is URPOJUUKXIXFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O4S/c20-14-6-4-13(5-7-14)19(25)21-11-10-18(24)22-16-2-1-3-17(12-16)28(26,27)23-15-8-9-15/h1-7,12,15,23H,8-11H2,(H,21,25)(H,22,24).
What are the key properties of 4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide has a molecular weight of 466.36 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24582386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).