2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide

C24H32N4O4S — CID 38097121

IUPAC2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-3-13-25-24(30)21-7-5-6-8-22(21)26-23(29)20-11-9-19(10-12-20)18-27-14-16-28(17-15-27)33(31,32)4-2/h5-12H,3-4,13-18H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyWKZIJWMJZFLMAT-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.55
Rot. Bonds9

About 2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide

2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide (PubChem CID 38097121) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide
PubChem CID38097121
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-3-13-25-24(30)21-7-5-6-8-22(21)26-23(29)20-11-9-19(10-12-20)18-27-14-16-28(17-15-27)33(31,32)4-2/h5-12H,3-4,13-18H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyWKZIJWMJZFLMAT-UHFFFAOYSA-N
XLogP2.55
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 43923542
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 43921389
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38100390
N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38099909
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide
CID 43924194
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 38099687
2-[(4-piperidin-1-ylbenzoyl)amino]-N-propylbenzamide
CID 21367704
N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 99960058
N-(4-chloro-2-methylphenyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921580
N-(3-ethoxypropyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43923977
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(4-iodo-2-methylphenyl)benzamide
CID 43923863
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 43919042

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide (CID 38097121) is 2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCN(S(=O)(=O)CC)CC2)cc1.
What is the InChIKey of 2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide?
The InChIKey is WKZIJWMJZFLMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-3-13-25-24(30)21-7-5-6-8-22(21)26-23(29)20-11-9-19(10-12-20)18-27-14-16-28(17-15-27)33(31,32)4-2/h5-12H,3-4,13-18H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide?
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide has a molecular weight of 472.61 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 38097121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).