N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide

C23H30N2O5S — CID 4813371

IUPACN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C23H30N2O5S/c1-29-22-14-13-20(31(27,28)25-15-7-2-3-8-16-25)18-21(22)24-23(26)12-9-17-30-19-10-5-4-6-11-19/h4-6,10-11,13-14,18H,2-3,7-9,12,15-17H2,1H3,(H,24,26)
InChIKeyHFYAEGAVHCZRJO-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.06
Rot. Bonds9

About N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide (PubChem CID 4813371) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
PubChem CID4813371
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C23H30N2O5S/c1-29-22-14-13-20(31(27,28)25-15-7-2-3-8-16-25)18-21(22)24-23(26)12-9-17-30-19-10-5-4-6-11-19/h4-6,10-11,13-14,18H,2-3,7-9,12,15-17H2,1H3,(H,24,26)
InChIKeyHFYAEGAVHCZRJO-UHFFFAOYSA-N
XLogP4.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide 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-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 38000923
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
CID 33297350
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057
4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 4688141
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 9466304
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 41104810

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide?
The IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide (CID 4813371) is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCCOc1ccccc1.
What is the InChIKey of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide?
The InChIKey is HFYAEGAVHCZRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-29-22-14-13-20(31(27,28)25-15-7-2-3-8-16-25)18-21(22)24-23(26)12-9-17-30-19-10-5-4-6-11-19/h4-6,10-11,13-14,18H,2-3,7-9,12,15-17H2,1H3,(H,24,26).
What are the key properties of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide?
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide has a molecular weight of 446.57 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide is sourced from PubChem (CID 4813371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).