2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide

C27H30N4O4S — CID 16554868

IUPAC2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C27H30N4O4S/c1-20-12-13-25(21(2)18-20)36(34,35)31-16-14-30(15-17-31)19-26(32)29-24-11-7-6-10-23(24)27(33)28-22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyLRGIUPWACICOIX-UHFFFAOYSA-N
MW506.63 g/mol
LogP3.50
Rot. Bonds7

About 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide

2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide (PubChem CID 16554868) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide
PubChem CID16554868
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC Name2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C27H30N4O4S/c1-20-12-13-25(21(2)18-20)36(34,35)31-16-14-30(15-17-31)19-26(32)29-24-11-7-6-10-23(24)27(33)28-22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyLRGIUPWACICOIX-UHFFFAOYSA-N
XLogP3.50
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8730774
N-(4-bromophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1178330
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8730879
N-(3,5-difluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 24680053
2-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 32677650
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801206
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 8730839
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 8730834
N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680074
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynylacetamide
CID 8787857

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide (CID 16554868) is 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide?
The InChIKey is LRGIUPWACICOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c1-20-12-13-25(21(2)18-20)36(34,35)31-16-14-30(15-17-31)19-26(32)29-24-11-7-6-10-23(24)27(33)28-22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide?
2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide has a molecular weight of 506.63 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 16554868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).