2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide

C26H27N3O4S — CID 17309535

IUPAC2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N3O4S/c1-20-11-13-22(14-12-20)34(32,33)19-25(30)27-24-10-6-5-9-23(24)26(31)29-17-15-28(16-18-29)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,27,30)
InChIKeyMOHKQTMFEIECCD-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide

2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 17309535) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID17309535
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N3O4S/c1-20-11-13-22(14-12-20)34(32,33)19-25(30)27-24-10-6-5-9-23(24)26(31)29-17-15-28(16-18-29)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,27,30)
InChIKeyMOHKQTMFEIECCD-UHFFFAOYSA-N
XLogP3.37
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17309534
3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17154229
ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312299
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17192294
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 5036336
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
N-tert-butyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzamide
CID 17309531
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 2967350
3-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2265194
trans-(1S,2S)-2-[[2-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981916

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide (CID 17309535) is 2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is MOHKQTMFEIECCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-20-11-13-22(14-12-20)34(32,33)19-25(30)27-24-10-6-5-9-23(24)26(31)29-17-15-28(16-18-29)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,27,30).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 477.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17309535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).