N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C25H29N3O4S2 — CID 16595528

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1
InChIInChI=1S/C25H29N3O4S2/c1-2-32-23-10-6-5-9-22(23)25-27-20(18-33-25)17-24(29)26-19-11-13-21(14-12-19)34(30,31)28-15-7-3-4-8-16-28/h5-6,9-14,18H,2-4,7-8,15-17H2,1H3,(H,26,29)
InChIKeyAIGZASQJFAZLCW-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.95
Rot. Bonds8

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 16595528) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID16595528
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1
InChIInChI=1S/C25H29N3O4S2/c1-2-32-23-10-6-5-9-22(23)25-27-20(18-33-25)17-24(29)26-19-11-13-21(14-12-19)34(30,31)28-15-7-3-4-8-16-28/h5-6,9-14,18H,2-4,7-8,15-17H2,1H3,(H,26,29)
InChIKeyAIGZASQJFAZLCW-UHFFFAOYSA-N
XLogP4.95
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16590997
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16593943
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 16592277
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16593803
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46686268
N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55494109
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-diethoxyphenyl)acetamide
CID 1013771
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55810984
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16601162
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 21372080

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 16595528) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is AIGZASQJFAZLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c1-2-32-23-10-6-5-9-22(23)25-27-20(18-33-25)17-24(29)26-19-11-13-21(14-12-19)34(30,31)28-15-7-3-4-8-16-28/h5-6,9-14,18H,2-4,7-8,15-17H2,1H3,(H,26,29).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 499.66 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16595528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).