2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide

C22H28N4O4S — CID 56540459

IUPAC2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1
InChIInChI=1S/C22H28N4O4S/c1-3-25(4-2)21(17-9-6-5-7-10-17)22(28)24-18-11-8-12-19(15-18)31(29,30)26-14-13-23-20(27)16-26/h5-12,15,21H,3-4,13-14,16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNZWGTHHJDKDSMA-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.83
Rot. Bonds8

About 2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide

2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide (PubChem CID 56540459) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
PubChem CID56540459
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1
InChIInChI=1S/C22H28N4O4S/c1-3-25(4-2)21(17-9-6-5-7-10-17)22(28)24-18-11-8-12-19(15-18)31(29,30)26-14-13-23-20(27)16-26/h5-12,15,21H,3-4,13-14,16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNZWGTHHJDKDSMA-UHFFFAOYSA-N
XLogP1.83
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540390
(2S)-2-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]propanamide
CID 119283963
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56540897
(2S)-2-amino-3,3-dimethyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]butanamide
CID 119713483
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56581574
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide
CID 56538343
2-methoxy-N-[3-methyl-1-oxo-1-[3-(3-oxopiperazin-1-yl)sulfonylanilino]butan-2-yl]benzamide
CID 55932008
2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride
CID 119713498
2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 55762233
7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride
CID 119713468
4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one
CID 43506960

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide (CID 56540459) is 2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide is CCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide?
The InChIKey is NZWGTHHJDKDSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-3-25(4-2)21(17-9-6-5-7-10-17)22(28)24-18-11-8-12-19(15-18)31(29,30)26-14-13-23-20(27)16-26/h5-12,15,21H,3-4,13-14,16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide?
2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide has a molecular weight of 444.56 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide is sourced from PubChem (CID 56540459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).