2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide

C23H32N4O3S — CID 56540390

IUPAC2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1
InChIInChI=1S/C23H32N4O3S/c1-4-26(5-2)22(19-10-7-6-8-11-19)23(28)24-20-12-9-13-21(18-20)31(29,30)27-16-14-25(3)15-17-27/h6-13,18,22H,4-5,14-17H2,1-3H3,(H,24,28)
InChIKeyGCTKZSFGQGCJIP-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.64
Rot. Bonds8

About 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide

2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide (PubChem CID 56540390) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
PubChem CID56540390
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1
InChIInChI=1S/C23H32N4O3S/c1-4-26(5-2)22(19-10-7-6-8-11-19)23(28)24-20-12-9-13-21(18-20)31(29,30)27-16-14-25(3)15-17-27/h6-13,18,22H,4-5,14-17H2,1-3H3,(H,24,28)
InChIKeyGCTKZSFGQGCJIP-UHFFFAOYSA-N
XLogP2.64
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540459
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56581574
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide
CID 56538343
2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide
CID 119876362
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
2-(diethylamino)-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 56538563
(2S)-2-amino-3,3-dimethyl-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]butanamide
CID 119876376
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 119946832
2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 119864454

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide (CID 56540390) is 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide is CCN(CC)C(C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide?
The InChIKey is GCTKZSFGQGCJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-4-26(5-2)22(19-10-7-6-8-11-19)23(28)24-20-12-9-13-21(18-20)31(29,30)27-16-14-25(3)15-17-27/h6-13,18,22H,4-5,14-17H2,1-3H3,(H,24,28).
What are the key properties of 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide?
2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide has a molecular weight of 444.60 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide is sourced from PubChem (CID 56540390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).