N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide

C22H30N4O3S — CID 46333701

IUPACN-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
SMILESCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H30N4O3S/c1-4-24-22(27)18-7-10-21(26-13-11-23-12-14-26)20(15-18)25-30(28,29)19-8-5-17(6-9-19)16(2)3/h5-10,15-16,23,25H,4,11-14H2,1-3H3,(H,24,27)
InChIKeyZKAYQNYCWXXDDI-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.77
Rot. Bonds7

About N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide

N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide (PubChem CID 46333701) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
PubChem CID46333701
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
SMILESCCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H30N4O3S/c1-4-24-22(27)18-7-10-21(26-13-11-23-12-14-26)20(15-18)25-30(28,29)19-8-5-17(6-9-19)16(2)3/h5-10,15-16,23,25H,4,11-14H2,1-3H3,(H,24,27)
InChIKeyZKAYQNYCWXXDDI-UHFFFAOYSA-N
XLogP2.77
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide
CID 46333711
N-butyl-N-methyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333391
N-ethyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059399
3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46333840
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872260
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
3-[(3-chloro-4-methylphenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059408
N-ethyl-3-[(3-methoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333714
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333780
N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46333696
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059410
3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059425

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide (CID 46333701) is N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide is CCNC(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
The InChIKey is ZKAYQNYCWXXDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-4-24-22(27)18-7-10-21(26-13-11-23-12-14-26)20(15-18)25-30(28,29)19-8-5-17(6-9-19)16(2)3/h5-10,15-16,23,25H,4,11-14H2,1-3H3,(H,24,27).
What are the key properties of N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide has a molecular weight of 430.57 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46333701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).