2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide

C22H27N3O5S — CID 45281368

IUPAC2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide
SMILESCOc1ccc(C2CCCCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-30-18-10-6-16(7-11-18)20-5-3-2-4-14-25(20)22(27)17-8-12-19(13-9-17)31(28,29)24-15-21(23)26/h6-13,20,24H,2-5,14-15H2,1H3,(H2,23,26)
InChIKeyCFCDWQWMOGJAHP-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.22
Rot. Bonds7

About 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide

2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide (PubChem CID 45281368) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide
PubChem CID45281368
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide
SMILESCOc1ccc(C2CCCCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-30-18-10-6-16(7-11-18)20-5-3-2-4-14-25(20)22(27)17-8-12-19(13-9-17)31(28,29)24-15-21(23)26/h6-13,20,24H,2-5,14-15H2,1H3,(H2,23,26)
InChIKeyCFCDWQWMOGJAHP-UHFFFAOYSA-N
XLogP2.22
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide with MolForge

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Related Compounds

4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 26996046
N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31797117
5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylbenzenesulfonamide
CID 78825743
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9361971
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
N-[5-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 51933466
N-ethyl-4-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 32626765
1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 46637926
N-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 35592625
(4-methoxyphenyl)-[(2S)-2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]methanone
CID 1080315
2-cyano-N-[2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide
CID 25482836

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide (CID 45281368) is 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide is COc1ccc(C2CCCCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)cc2)cc1.
What is the InChIKey of 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide?
The InChIKey is CFCDWQWMOGJAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-30-18-10-6-16(7-11-18)20-5-3-2-4-14-25(20)22(27)17-8-12-19(13-9-17)31(28,29)24-15-21(23)26/h6-13,20,24H,2-5,14-15H2,1H3,(H2,23,26).
What are the key properties of 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide?
2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide has a molecular weight of 445.54 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 45281368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).