5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide

C19H23BrN2O4S — CID 60509529

IUPAC5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide
SMILESCOc1cc(NC(=O)CCCCc2ccc(Br)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C19H23BrN2O4S/c1-26-18-13-16(11-12-17(18)22-27(2,24)25)21-19(23)6-4-3-5-14-7-9-15(20)10-8-14/h7-13,22H,3-6H2,1-2H3,(H,21,23)
InChIKeySNMHENUNWSSJMP-UHFFFAOYSA-N
MW455.37 g/mol
LogP4.18
Rot. Bonds9

About 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide

5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide (PubChem CID 60509529) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide
PubChem CID60509529
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide
SMILESCOc1cc(NC(=O)CCCCc2ccc(Br)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C19H23BrN2O4S/c1-26-18-13-16(11-12-17(18)22-27(2,24)25)21-19(23)6-4-3-5-14-7-9-15(20)10-8-14/h7-13,22H,3-6H2,1-2H3,(H,21,23)
InChIKeySNMHENUNWSSJMP-UHFFFAOYSA-N
XLogP4.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide
CID 55828058
4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide
CID 37257823
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 51132083
4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37260856
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
CID 55635947
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
2-(2,4-dichlorophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 37259252
N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
CID 119713207
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide (CID 60509529) is 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide is COc1cc(NC(=O)CCCCc2ccc(Br)cc2)ccc1NS(C)(=O)=O.
What is the InChIKey of 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide?
The InChIKey is SNMHENUNWSSJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-26-18-13-16(11-12-17(18)22-27(2,24)25)21-19(23)6-4-3-5-14-7-9-15(20)10-8-14/h7-13,22H,3-6H2,1-2H3,(H,21,23).
What are the key properties of 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide?
5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide has a molecular weight of 455.37 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide is sourced from PubChem (CID 60509529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).