N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C19H32N4O3S — CID 43995243

IUPACN-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCCN(CC)CCN(C(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H32N4O3S/c1-5-21(6-2)13-16-23(19(24)22-14-11-20(4)12-15-22)27(25,26)18-9-7-17(3)8-10-18/h7-10H,5-6,11-16H2,1-4H3
InChIKeyPNLXSDUTLVGIJI-UHFFFAOYSA-N
MW396.56 g/mol
LogP1.69
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 43995243) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID43995243
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCCN(CC)CCN(C(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H32N4O3S/c1-5-21(6-2)13-16-23(19(24)22-14-11-20(4)12-15-22)27(25,26)18-9-7-17(3)8-10-18/h7-10H,5-6,11-16H2,1-4H3
InChIKeyPNLXSDUTLVGIJI-UHFFFAOYSA-N
XLogP1.69
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
3-[(4-Methylphenyl)sulfonyl]-1,3,5-triazabicyclo[3.2.1]octane
CID 653810
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamide
CID 2810723
3,3-Dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
N,N-diethyl-4-(2,4,6-trimethylbenzenesulfonyl)piperazine-1-carboxamide
CID 1091480
4-[(3,4-dimethylphenyl)sulfonyl]-N,N-diethyl-1-piperazinecarboxamide
CID 2147526
1-(Mesitylsulfonyl)-4-(1-piperidinylcarbonyl)piperazine
CID 2211015
1-[5-Methyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 3157921
N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 7388109
N-(2-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide
CID 7388134

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 43995243) is N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is CCN(CC)CCN(C(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is PNLXSDUTLVGIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-5-21(6-2)13-16-23(19(24)22-14-11-20(4)12-15-22)27(25,26)18-9-7-17(3)8-10-18/h7-10H,5-6,11-16H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 43995243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).