N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C20H29N3O4S — CID 20936121

IUPACN-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCCN1CCCCCC1
InChIInChI=1S/C20H29N3O4S/c1-16-14-19(27-22-16)17-8-9-18(26-2)20(15-17)28(24,25)21-10-7-13-23-11-5-3-4-6-12-23/h8-9,14-15,21H,3-7,10-13H2,1-2H3
InChIKeyMHVPQMIRIAYEHZ-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.20
Rot. Bonds8

About N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20936121) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID20936121
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCCN1CCCCCC1
InChIInChI=1S/C20H29N3O4S/c1-16-14-19(27-22-16)17-8-9-18(26-2)20(15-17)28(24,25)21-10-7-13-23-11-5-3-4-6-12-23/h8-9,14-15,21H,3-7,10-13H2,1-2H3
InChIKeyMHVPQMIRIAYEHZ-UHFFFAOYSA-N
XLogP3.20
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide 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

2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 20935012
5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 8843266
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913
N-[(3S)-3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 92505391
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 20936132
4-methoxy-2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 100546802
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 20936139
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 20936585
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936133
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 20935095

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20936121) is N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCCN1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is MHVPQMIRIAYEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-16-14-19(27-22-16)17-8-9-18(26-2)20(15-17)28(24,25)21-10-7-13-23-11-5-3-4-6-12-23/h8-9,14-15,21H,3-7,10-13H2,1-2H3.
What are the key properties of N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20936121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).