3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide

C17H24N2O5S — CID 72929925

IUPAC3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(S(=O)(=O)N2CCCOCC2)c1
InChIInChI=1S/C17H24N2O5S/c20-17(18-13-15-5-2-10-24-15)14-4-1-6-16(12-14)25(21,22)19-7-3-9-23-11-8-19/h1,4,6,12,15H,2-3,5,7-11,13H2,(H,18,20)
InChIKeyGDYQPFICJPYKEB-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.01
Rot. Bonds5

About 3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide

3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 72929925) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID72929925
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(S(=O)(=O)N2CCCOCC2)c1
InChIInChI=1S/C17H24N2O5S/c20-17(18-13-15-5-2-10-24-15)14-4-1-6-16(12-14)25(21,22)19-7-3-9-23-11-8-19/h1,4,6,12,15H,2-3,5,7-11,13H2,(H,18,20)
InChIKeyGDYQPFICJPYKEB-UHFFFAOYSA-N
XLogP1.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557
2-methyl-5-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2994738
3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 34551600
5-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 25361107
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7436349
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide (CID 72929925) is 3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cccc(S(=O)(=O)N2CCCOCC2)c1.
What is the InChIKey of 3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is GDYQPFICJPYKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c20-17(18-13-15-5-2-10-24-15)14-4-1-6-16(12-14)25(21,22)19-7-3-9-23-11-8-19/h1,4,6,12,15H,2-3,5,7-11,13H2,(H,18,20).
What are the key properties of 3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide?
3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 368.46 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 72929925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).