N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C23H31N3O6S2 — CID 21372080

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O6S2/c1-3-32-22-11-7-6-10-21(22)26(33(2,28)29)18-23(27)24-19-12-14-20(15-13-19)34(30,31)25-16-8-4-5-9-17-25/h6-7,10-15H,3-5,8-9,16-18H2,1-2H3,(H,24,27)
InChIKeyANCMWOWBEAHGSS-UHFFFAOYSA-N
MW509.65 g/mol
LogP3.05
Rot. Bonds9

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 21372080) has the molecular formula C23H31N3O6S2 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID21372080
Molecular FormulaC23H31N3O6S2
Molecular Weight509.65 g/mol
Exact Mass509.17
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O6S2/c1-3-32-22-11-7-6-10-21(22)26(33(2,28)29)18-23(27)24-19-12-14-20(15-13-19)34(30,31)25-16-8-4-5-9-17-25/h6-7,10-15H,3-5,8-9,16-18H2,1-2H3,(H,24,27)
InChIKeyANCMWOWBEAHGSS-UHFFFAOYSA-N
XLogP3.05
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.65
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1163326
2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17312955
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51342756
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 4155954
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 100581767
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892492
N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155262
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772784
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500650
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502510
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846617
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-chloro-N-methylsulfonylanilino)acetamide
CID 21372809

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 21372080) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is ANCMWOWBEAHGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S2/c1-3-32-22-11-7-6-10-21(22)26(33(2,28)29)18-23(27)24-19-12-14-20(15-13-19)34(30,31)25-16-8-4-5-9-17-25/h6-7,10-15H,3-5,8-9,16-18H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 509.65 g/mol, XLogP of 3.05, 9 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-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 21372080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).