N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide

C26H26Cl2N2O4S — CID 21380435

IUPACN-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C26H26Cl2N2O4S/c27-19-11-14-23(15-12-19)35(32,33)30(21-7-3-1-4-8-21)18-26(31)29-24-17-20(28)13-16-25(24)34-22-9-5-2-6-10-22/h2,5-6,9-17,21H,1,3-4,7-8,18H2,(H,29,31)
InChIKeyATJKINOMSUIGLQ-UHFFFAOYSA-N
MW533.48 g/mol
LogP6.75
Rot. Bonds8

About N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide

N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide (PubChem CID 21380435) has the molecular formula C26H26Cl2N2O4S and a molecular weight of 533.48 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
PubChem CID21380435
Molecular FormulaC26H26Cl2N2O4S
Molecular Weight533.48 g/mol
Exact Mass532.10
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C26H26Cl2N2O4S/c27-19-11-14-23(15-12-19)35(32,33)30(21-7-3-1-4-8-21)18-26(31)29-24-17-20(28)13-16-25(24)34-22-9-5-2-6-10-22/h2,5-6,9-17,21H,1,3-4,7-8,18H2,(H,29,31)
InChIKeyATJKINOMSUIGLQ-UHFFFAOYSA-N
XLogP6.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.48
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1331504
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
CID 1002059
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 21380434
N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 21380449
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2,4-difluorophenyl)acetamide
CID 1330856
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1002076
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126273783
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide (CID 21380435) is N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide?
The InChIKey is ATJKINOMSUIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O4S/c27-19-11-14-23(15-12-19)35(32,33)30(21-7-3-1-4-8-21)18-26(31)29-24-17-20(28)13-16-25(24)34-22-9-5-2-6-10-22/h2,5-6,9-17,21H,1,3-4,7-8,18H2,(H,29,31).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide has a molecular weight of 533.48 g/mol, XLogP of 6.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide is sourced from PubChem (CID 21380435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).