N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

C22H30N4O3S — CID 60513950

IUPACN-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(N(C)C)cc3C)CC2)cc1
InChIInChI=1S/C22H30N4O3S/c1-17-5-8-20(9-6-17)30(28,29)26-13-11-25(12-14-26)16-22(27)23-21-10-7-19(24(3)4)15-18(21)2/h5-10,15H,11-14,16H2,1-4H3,(H,23,27)
InChIKeyVQPQOTDQPPGGPP-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.31
Rot. Bonds6

About N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 60513950) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID60513950
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(N(C)C)cc3C)CC2)cc1
InChIInChI=1S/C22H30N4O3S/c1-17-5-8-20(9-6-17)30(28,29)26-13-11-25(12-14-26)16-22(27)23-21-10-7-19(24(3)4)15-18(21)2/h5-10,15H,11-14,16H2,1-4H3,(H,23,27)
InChIKeyVQPQOTDQPPGGPP-UHFFFAOYSA-N
XLogP2.31
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747504
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186213
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9104805
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 60513950) is N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(N(C)C)cc3C)CC2)cc1.
What is the InChIKey of N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is VQPQOTDQPPGGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-17-5-8-20(9-6-17)30(28,29)26-13-11-25(12-14-26)16-22(27)23-21-10-7-19(24(3)4)15-18(21)2/h5-10,15H,11-14,16H2,1-4H3,(H,23,27).
What are the key properties of N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 430.57 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 60513950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).