2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

C21H26ClN3O6S2 — CID 30219518

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C21H26ClN3O6S2/c1-31-20-11-10-16(33(29,30)24-12-6-3-7-13-24)14-18(20)23-21(26)15-25(32(2,27)28)19-9-5-4-8-17(19)22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,26)
InChIKeyZUHWTIIETQIHBI-UHFFFAOYSA-N
MW516.04 g/mol
LogP2.93
Rot. Bonds8

About 2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 30219518) has the molecular formula C21H26ClN3O6S2 and a molecular weight of 516.04 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID30219518
Molecular FormulaC21H26ClN3O6S2
Molecular Weight516.04 g/mol
Exact Mass515.10
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C21H26ClN3O6S2/c1-31-20-11-10-16(33(29,30)24-12-6-3-7-13-24)14-18(20)23-21(26)15-25(32(2,27)28)19-9-5-4-8-17(19)22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,26)
InChIKeyZUHWTIIETQIHBI-UHFFFAOYSA-N
XLogP2.93
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.04
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772784
2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30219303
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 99954310
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30224711
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896334
2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772719
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43898486
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-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43900649
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 43885158
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43905601

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 30219518) is 2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is ZUHWTIIETQIHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O6S2/c1-31-20-11-10-16(33(29,30)24-12-6-3-7-13-24)14-18(20)23-21(26)15-25(32(2,27)28)19-9-5-4-8-17(19)22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 516.04 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 30219518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).