4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C18H19BrN2O4S — CID 27538363

IUPAC4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O4S/c19-15-5-3-14(4-6-15)17(22)9-10-18(23)21-12-11-13-1-7-16(8-2-13)26(20,24)25/h1-8H,9-12H2,(H,21,23)(H2,20,24,25)
InChIKeySMFMSOZXLTUNAW-UHFFFAOYSA-N
MW439.33 g/mol
LogP2.42
Rot. Bonds8

About 4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 27538363) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID27538363
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O4S/c19-15-5-3-14(4-6-15)17(22)9-10-18(23)21-12-11-13-1-7-16(8-2-13)26(20,24)25/h1-8H,9-12H2,(H,21,23)(H2,20,24,25)
InChIKeySMFMSOZXLTUNAW-UHFFFAOYSA-N
XLogP2.42
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 24634981
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide
CID 27884457
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
1-(4-bromophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 25040998
N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
CID 115139262
4-(diaminomethylideneamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 118707446
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 55482671
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 27538363) is 4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is SMFMSOZXLTUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c19-15-5-3-14(4-6-15)17(22)9-10-18(23)21-12-11-13-1-7-16(8-2-13)26(20,24)25/h1-8H,9-12H2,(H,21,23)(H2,20,24,25).
What are the key properties of 4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 439.33 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 27538363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).