N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide

C16H24N2O4S — CID 6458874

IUPACN-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(C)=O
InChIInChI=1S/C16H24N2O4S/c1-3-22-16-9-8-14(12-15(16)17-13(2)19)23(20,21)18-10-6-4-5-7-11-18/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,19)
InChIKeyIXPZEOHMWJATCZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.61
Rot. Bonds5

About N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide

N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide (PubChem CID 6458874) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
PubChem CID6458874
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(C)=O
InChIInChI=1S/C16H24N2O4S/c1-3-22-16-9-8-14(12-15(16)17-13(2)19)23(20,21)18-10-6-4-5-7-11-18/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,19)
InChIKeyIXPZEOHMWJATCZ-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 6492327
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
3-acetamido-4-ethoxybenzenesulfonic acid
CID 82483875
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 30748290
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911227

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide?
The IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide (CID 6458874) is N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide?
The canonical SMILES for N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide is CCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(C)=O.
What is the InChIKey of N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide?
The InChIKey is IXPZEOHMWJATCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-22-16-9-8-14(12-15(16)17-13(2)19)23(20,21)18-10-6-4-5-7-11-18/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide?
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide is sourced from PubChem (CID 6458874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).