4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide

C20H27N5O4S — CID 55674641

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide
SMILESCCCCn1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H27N5O4S/c1-3-4-11-25-19(9-10-21-25)22-20(27)17-5-7-18(8-6-17)30(28,29)24-14-12-23(13-15-24)16(2)26/h5-10H,3-4,11-15H2,1-2H3,(H,22,27)
InChIKeyYMCZMJLGUXNXSU-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.79
Rot. Bonds7

About 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide

4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide (PubChem CID 55674641) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide
PubChem CID55674641
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide
SMILESCCCCn1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H27N5O4S/c1-3-4-11-25-19(9-10-21-25)22-20(27)17-5-7-18(8-6-17)30(28,29)24-14-12-23(13-15-24)16(2)26/h5-10H,3-4,11-15H2,1-2H3,(H,22,27)
InChIKeyYMCZMJLGUXNXSU-UHFFFAOYSA-N
XLogP1.79
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55674727
N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
CID 78864779
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide
CID 109060231
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide
CID 9179296
ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 3437327
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide
CID 55799423
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
4-(4-acetylphenyl)sulfonyl-N-butylpiperazine-1-carbothioamide
CID 8677210
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38534496
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951793

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide (CID 55674641) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide is CCCCn1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide?
The InChIKey is YMCZMJLGUXNXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-3-4-11-25-19(9-10-21-25)22-20(27)17-5-7-18(8-6-17)30(28,29)24-14-12-23(13-15-24)16(2)26/h5-10H,3-4,11-15H2,1-2H3,(H,22,27).
What are the key properties of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide?
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide has a molecular weight of 433.53 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55674641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).