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

C20H23ClN2O4S — CID 1010577

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H23ClN2O4S/c21-16-5-9-18(10-6-16)27-15-20(24)22-17-7-11-19(12-8-17)28(25,26)23-13-3-1-2-4-14-23/h5-12H,1-4,13-15H2,(H,22,24)
InChIKeyPSWOBIHXQOGNGZ-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.92
Rot. Bonds6

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

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 1010577) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
PubChem CID1010577
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H23ClN2O4S/c21-16-5-9-18(10-6-16)27-15-20(24)22-17-7-11-19(12-8-17)28(25,26)23-13-3-1-2-4-14-23/h5-12H,1-4,13-15H2,(H,22,24)
InChIKeyPSWOBIHXQOGNGZ-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3526342
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 45374710
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3543964
N-(2,6-dichlorophenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 3987191
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093225
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
N-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yloxyacetamide
CID 56943285
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1248006
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 23961972
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 21368377
2-(2-acetyl-4-chlorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783784

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide (CID 1010577) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is PSWOBIHXQOGNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c21-16-5-9-18(10-6-16)27-15-20(24)22-17-7-11-19(12-8-17)28(25,26)23-13-3-1-2-4-14-23/h5-12H,1-4,13-15H2,(H,22,24).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 422.93 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 1010577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).