4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide

C23H29N3O3S — CID 71962513

IUPAC4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(CC=Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H29N3O3S/c1-3-24-16-18-25(19-17-24)23(27)26(15-7-10-21-8-5-4-6-9-21)30(28,29)22-13-11-20(2)12-14-22/h4-14H,3,15-19H2,1-2H3
InChIKeyKAIJLQVPWVVVOI-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.46
Rot. Bonds6

About 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide

4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide (PubChem CID 71962513) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide
PubChem CID71962513
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(CC=Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H29N3O3S/c1-3-24-16-18-25(19-17-24)23(27)26(15-7-10-21-8-5-4-6-9-21)30(28,29)22-13-11-20(2)12-14-22/h4-14H,3,15-19H2,1-2H3
InChIKeyKAIJLQVPWVVVOI-UHFFFAOYSA-N
XLogP3.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide
CID 92649244
N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2422630
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 1091470
N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 43995378
N-(2-ethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 21371946
3-(benzenesulfonyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17310128
N-[2-(diethylamino)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 43995243
4-fluoro-N-methyl-N-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]benzenesulfonamide
CID 55358304
[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55944324
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
4-ethoxy-N-methyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 19798438

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide (CID 71962513) is 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide is CCN1CCN(C(=O)N(CC=Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The InChIKey is KAIJLQVPWVVVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-3-24-16-18-25(19-17-24)23(27)26(15-7-10-21-8-5-4-6-9-21)30(28,29)22-13-11-20(2)12-14-22/h4-14H,3,15-19H2,1-2H3.
What are the key properties of 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide is sourced from PubChem (CID 71962513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).