N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide

C19H32N4O3S — CID 119652728

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide
SMILESCc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)CC(C)(C)CN)CC2)c1
InChIInChI=1S/C19H32N4O3S/c1-16-6-5-7-17(12-16)22-8-10-23(11-9-22)27(25,26)13-18(24)21(4)15-19(2,3)14-20/h5-7,12H,8-11,13-15,20H2,1-4H3
InChIKeyRQSMDRYXWMAZBQ-UHFFFAOYSA-N
MW396.56 g/mol
LogP0.89
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide (PubChem CID 119652728) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide
PubChem CID119652728
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide
SMILESCc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)CC(C)(C)CN)CC2)c1
InChIInChI=1S/C19H32N4O3S/c1-16-6-5-7-17(12-16)22-8-10-23(11-9-22)27(25,26)13-18(24)21(4)15-19(2,3)14-20/h5-7,12H,8-11,13-15,20H2,1-4H3
InChIKeyRQSMDRYXWMAZBQ-UHFFFAOYSA-N
XLogP0.89
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
CID 119572490
N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
CID 119997889
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethanone
CID 124589148
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110705779
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethanone;dihydrochloride
CID 120657575
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
N-tert-butyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113152890
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethanone
CID 60572430
1-hexylsulfonyl-4-(3-methylphenyl)piperazine
CID 166955658
1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
CID 64818966
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076897

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide (CID 119652728) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide is Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)CC(C)(C)CN)CC2)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide?
The InChIKey is RQSMDRYXWMAZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-16-6-5-7-17(12-16)22-8-10-23(11-9-22)27(25,26)13-18(24)21(4)15-19(2,3)14-20/h5-7,12H,8-11,13-15,20H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide has a molecular weight of 396.56 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide is sourced from PubChem (CID 119652728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).