N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide

C17H27N5O6S2 — CID 32501120

IUPACN-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C17H27N5O6S2/c1-14(23)18-15-5-7-16(8-6-15)29(25,26)20(4)13-17(24)21-9-11-22(12-10-21)30(27,28)19(2)3/h5-8H,9-13H2,1-4H3,(H,18,23)
InChIKeyYSXYTHKSLYHCSZ-UHFFFAOYSA-N
MW461.57 g/mol
LogP-0.78
Rot. Bonds7

About N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide

N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide (PubChem CID 32501120) has the molecular formula C17H27N5O6S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
PubChem CID32501120
Molecular FormulaC17H27N5O6S2
Molecular Weight461.57 g/mol
Exact Mass461.14
IUPAC NameN-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C17H27N5O6S2/c1-14(23)18-15-5-7-16(8-6-15)29(25,26)20(4)13-17(24)21-9-11-22(12-10-21)30(27,28)19(2)3/h5-8H,9-13H2,1-4H3,(H,18,23)
InChIKeyYSXYTHKSLYHCSZ-UHFFFAOYSA-N
XLogP-0.78
TPSA127.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 55918517
N-[4-[[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119638514
N-[4-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 4847240
4-fluoro-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 895452
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 55590262
N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 24537457
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100792364
N-[4-[methyl(2-piperidin-1-ylethyl)sulfamoyl]phenyl]acetamide
CID 110753478
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270
N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide
CID 34217753
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 9091175

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide (CID 32501120) is N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1.
What is the InChIKey of N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
The InChIKey is YSXYTHKSLYHCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O6S2/c1-14(23)18-15-5-7-16(8-6-15)29(25,26)20(4)13-17(24)21-9-11-22(12-10-21)30(27,28)19(2)3/h5-8H,9-13H2,1-4H3,(H,18,23).
What are the key properties of N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide?
N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide has a molecular weight of 461.57 g/mol, XLogP of -0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 32501120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).