4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide

C23H31N5O4S — CID 55683951

IUPAC4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1
InChIInChI=1S/C23H31N5O4S/c1-3-19-8-4-5-10-21(19)26-22(29)17-27-11-13-28(14-12-27)23(30)25-16-18-7-6-9-20(15-18)33(31,32)24-2/h4-10,15,24H,3,11-14,16-17H2,1-2H3,(H,25,30)(H,26,29)
InChIKeySZMYPIPFBUGXQG-UHFFFAOYSA-N
MW473.60 g/mol
LogP1.62
Rot. Bonds8

About 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide

4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 55683951) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID55683951
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC Name4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1
InChIInChI=1S/C23H31N5O4S/c1-3-19-8-4-5-10-21(19)26-22(29)17-27-11-13-28(14-12-27)23(30)25-16-18-7-6-9-20(15-18)33(31,32)24-2/h4-10,15,24H,3,11-14,16-17H2,1-2H3,(H,25,30)(H,26,29)
InChIKeySZMYPIPFBUGXQG-UHFFFAOYSA-N
XLogP1.62
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773116
(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8773224
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
N-(2-ethylphenyl)-2-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24678044
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 52581037
N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide
CID 9022241
2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851906
2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55371884
N-(2-ethylphenyl)-2-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 24547654

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide (CID 55683951) is 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1.
What is the InChIKey of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is SZMYPIPFBUGXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-3-19-8-4-5-10-21(19)26-22(29)17-27-11-13-28(14-12-27)23(30)25-16-18-7-6-9-20(15-18)33(31,32)24-2/h4-10,15,24H,3,11-14,16-17H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide?
4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55683951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).