2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

C21H25Cl2N3O5S2 — CID 43874576

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H25Cl2N3O5S2/c1-25(33(30,31)20-13-17(22)7-10-19(20)23)15-21(27)24-14-16-5-8-18(9-6-16)32(28,29)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,24,27)
InChIKeyATPZCZILJJNVPU-UHFFFAOYSA-N
MW534.49 g/mol
LogP3.10
Rot. Bonds8

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 43874576) has the molecular formula C21H25Cl2N3O5S2 and a molecular weight of 534.49 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID43874576
Molecular FormulaC21H25Cl2N3O5S2
Molecular Weight534.49 g/mol
Exact Mass533.06
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H25Cl2N3O5S2/c1-25(33(30,31)20-13-17(22)7-10-19(20)23)15-21(27)24-14-16-5-8-18(9-6-16)32(28,29)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,24,27)
InChIKeyATPZCZILJJNVPU-UHFFFAOYSA-N
XLogP3.10
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561285
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561386
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874513
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874580
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9304586
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599269
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 17027739
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55797955
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 1315364
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 28562564

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (CID 43874576) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is ATPZCZILJJNVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O5S2/c1-25(33(30,31)20-13-17(22)7-10-19(20)23)15-21(27)24-14-16-5-8-18(9-6-16)32(28,29)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,24,27).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 534.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 43874576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).