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

N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 7388130
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 16803487
N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 43995378
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 16830440
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 16830438
4-acetyl-N-(4-methylphenyl)sulfonyl-N-[(3-nitrophenyl)methyl]piperazine-1-carboxamide
CID 43995324
N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide
CID 34217753
4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 71962513
N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 135006273
4-methyl-N-(2-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1143165
N-(4-fluorophenyl)-4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1009849

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).