4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide

C20H26N4O4S2 — CID 26011944

IUPAC4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
SMILESCN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCCc3cccs3)cc2)CC1
InChIInChI=1S/C20H26N4O4S2/c1-23-11-13-24(14-12-23)30(27,28)18-9-7-16(8-10-18)20(26)22-21-19(25)6-2-4-17-5-3-15-29-17/h3,5,7-10,15H,2,4,6,11-14H2,1H3,(H,21,25)(H,22,26)
InChIKeySHDCPVPWSNHOIG-UHFFFAOYSA-N
MW450.59 g/mol
LogP1.47
Rot. Bonds7

About 4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide

4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide (PubChem CID 26011944) has the molecular formula C20H26N4O4S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
PubChem CID26011944
Molecular FormulaC20H26N4O4S2
Molecular Weight450.59 g/mol
Exact Mass450.14
IUPAC Name4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
SMILESCN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCCc3cccs3)cc2)CC1
InChIInChI=1S/C20H26N4O4S2/c1-23-11-13-24(14-12-23)30(27,28)18-9-7-16(8-10-18)20(26)22-21-19(25)6-2-4-17-5-3-15-29-17/h3,5,7-10,15H,2,4,6,11-14H2,1H3,(H,21,25)(H,22,26)
InChIKeySHDCPVPWSNHOIG-UHFFFAOYSA-N
XLogP1.47
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3,3-dimethylbutanoyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide
CID 25478585
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 19258251
1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 60580836
4-ethoxy-N-[4-[(4-thiophen-2-ylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide
CID 4847097
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 2458753
3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 17391517
N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 30859496
N'-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]thiophene-2-carbohydrazide
CID 9479284
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 112794619
2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 17429900
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide (CID 26011944) is 4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide is CN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCCc3cccs3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide?
The InChIKey is SHDCPVPWSNHOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S2/c1-23-11-13-24(14-12-23)30(27,28)18-9-7-16(8-10-18)20(26)22-21-19(25)6-2-4-17-5-3-15-29-17/h3,5,7-10,15H,2,4,6,11-14H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide?
4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide has a molecular weight of 450.59 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide is sourced from PubChem (CID 26011944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).