N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide

C20H25N3O5S2 — CID 39769606

IUPACN-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C20H25N3O5S2/c1-15-9-10-17(21-16(2)24)14-20(15)29(25,26)22-18-7-6-8-19(13-18)30(27,28)23-11-4-3-5-12-23/h6-10,13-14,22H,3-5,11-12H2,1-2H3,(H,21,24)
InChIKeyGTFRNFFXYGXFKS-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.93
Rot. Bonds6

About N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide

N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 39769606) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID39769606
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC NameN-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C20H25N3O5S2/c1-15-9-10-17(21-16(2)24)14-20(15)29(25,26)22-18-7-6-8-19(13-18)30(27,28)23-11-4-3-5-12-23/h6-10,13-14,22H,3-5,11-12H2,1-2H3,(H,21,24)
InChIKeyGTFRNFFXYGXFKS-UHFFFAOYSA-N
XLogP2.93
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
CID 96649
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid
CID 5282250
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid
CID 34025
Disodium 5-acetamido-2-(2-(4-isothiocyanato-2-sulphonatophenyl)vinyl)benzenesulphonate
CID 5702774
1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4884161
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide (CID 39769606) is N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is GTFRNFFXYGXFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c1-15-9-10-17(21-16(2)24)14-20(15)29(25,26)22-18-7-6-8-19(13-18)30(27,28)23-11-4-3-5-12-23/h6-10,13-14,22H,3-5,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide?
N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 451.57 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 39769606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).