4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide

C22H30N4O3S — CID 52570210

IUPAC4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide
SMILESCCN(CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H30N4O3S/c1-2-24(20-10-5-3-6-11-20)15-9-14-23-22(27)25-16-18-26(19-17-25)30(28,29)21-12-7-4-8-13-21/h3-8,10-13H,2,9,14-19H2,1H3,(H,23,27)
InChIKeyZASKNPYGAVQXQD-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.62
Rot. Bonds8

About 4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide

4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide (PubChem CID 52570210) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide
PubChem CID52570210
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide
SMILESCCN(CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H30N4O3S/c1-2-24(20-10-5-3-6-11-20)15-9-14-23-22(27)25-16-18-26(19-17-25)30(28,29)21-12-7-4-8-13-21/h3-8,10-13H,2,9,14-19H2,1H3,(H,23,27)
InChIKeyZASKNPYGAVQXQD-UHFFFAOYSA-N
XLogP2.62
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide
CID 55575736
4-(benzenesulfonyl)-N-[3-[benzyl(methyl)amino]propyl]piperazine-1-carboxamide
CID 52570185
N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24550613
4-(benzenesulfonyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 108893693
N-[3-(N-ethylanilino)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332368
4-chloro-N-[3-(N-ethylanilino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24550601
3-(N-ethylanilino)propylurea
CID 112708177
N-[3-(N-ethylanilino)propyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55397868
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
CID 41355719
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperidine-4-carboxamide
CID 41278246
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide (CID 52570210) is 4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide is CCN(CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide?
The InChIKey is ZASKNPYGAVQXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-2-24(20-10-5-3-6-11-20)15-9-14-23-22(27)25-16-18-26(19-17-25)30(28,29)21-12-7-4-8-13-21/h3-8,10-13H,2,9,14-19H2,1H3,(H,23,27).
What are the key properties of 4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 52570210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).