N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide

C22H28N4O4S — CID 55411242

IUPACN-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O4S/c1-2-6-18-9-11-20(12-10-18)31(29,30)26-15-13-25(14-16-26)17-21(27)24-22(28)23-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3,(H2,23,24,27,28)
InChIKeyYEJZXEJFSWDQQV-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.29
Rot. Bonds7

About N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 55411242) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID55411242
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O4S/c1-2-6-18-9-11-20(12-10-18)31(29,30)26-15-13-25(14-16-26)17-21(27)24-22(28)23-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3,(H2,23,24,27,28)
InChIKeyYEJZXEJFSWDQQV-UHFFFAOYSA-N
XLogP2.29
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393646
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8688461
N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 112769574
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9393645
N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393707
N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8678550
N-[(4-methoxyphenyl)carbamoyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27202687
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
1-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-3-phenylthiourea
CID 3400826
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
N-(1-cyanocyclopentyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393591

Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 55411242) is N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide is CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is YEJZXEJFSWDQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-2-6-18-9-11-20(12-10-18)31(29,30)26-15-13-25(14-16-26)17-21(27)24-22(28)23-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3,(H2,23,24,27,28).
What are the key properties of N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 444.56 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 55411242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).