4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide

C21H25BrN2O5S — CID 17474569

IUPAC4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
SMILESO=C(CCCOc1cccc(Br)c1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25BrN2O5S/c22-18-3-1-4-19(15-18)29-12-2-5-21(25)23-16-17-6-8-20(9-7-17)30(26,27)24-10-13-28-14-11-24/h1,3-4,6-9,15H,2,5,10-14,16H2,(H,23,25)
InChIKeyIJLVVGUUGJWKPD-UHFFFAOYSA-N
MW497.41 g/mol
LogP2.95
Rot. Bonds9

About 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide

4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide (PubChem CID 17474569) has the molecular formula C21H25BrN2O5S and a molecular weight of 497.41 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
PubChem CID17474569
Molecular FormulaC21H25BrN2O5S
Molecular Weight497.41 g/mol
Exact Mass496.07
IUPAC Name4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
SMILESO=C(CCCOc1cccc(Br)c1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25BrN2O5S/c22-18-3-1-4-19(15-18)29-12-2-5-21(25)23-16-17-6-8-20(9-7-17)30(26,27)24-10-13-28-14-11-24/h1,3-4,6-9,15H,2,5,10-14,16H2,(H,23,25)
InChIKeyIJLVVGUUGJWKPD-UHFFFAOYSA-N
XLogP2.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide 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-(3-bromophenoxy)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 51132965
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 55712353
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55797955
N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 60597463
3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27861911
5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide
CID 55914473
4-(3-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 24549518
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide?
The IUPAC name of 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide (CID 17474569) is 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide?
The canonical SMILES for 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide is O=C(CCCOc1cccc(Br)c1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide?
The InChIKey is IJLVVGUUGJWKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O5S/c22-18-3-1-4-19(15-18)29-12-2-5-21(25)23-16-17-6-8-20(9-7-17)30(26,27)24-10-13-28-14-11-24/h1,3-4,6-9,15H,2,5,10-14,16H2,(H,23,25).
What are the key properties of 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide?
4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide has a molecular weight of 497.41 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide is sourced from PubChem (CID 17474569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).