N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide

C23H26N4O4S — CID 55351992

IUPACN'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H26N4O4S/c1-16-6-4-5-13-27(16)32(30,31)19-11-9-17(10-12-19)23(29)26-25-22(28)14-18-15-24-21-8-3-2-7-20(18)21/h2-3,7-12,15-16,24H,4-6,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyFPNWVCNEMBQCCN-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.73
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide (PubChem CID 55351992) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide
PubChem CID55351992
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H26N4O4S/c1-16-6-4-5-13-27(16)32(30,31)19-11-9-17(10-12-19)23(29)26-25-22(28)14-18-15-24-21-8-3-2-7-20(18)21/h2-3,7-12,15-16,24H,4-6,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyFPNWVCNEMBQCCN-UHFFFAOYSA-N
XLogP2.73
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide
CID 9331872
N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112791077
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55395914
N'-[2-(1H-indol-3-yl)acetyl]cyclobutanecarbohydrazide
CID 29437842
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27644813
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46628535
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657177
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
N-benzyl-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 46613222
N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119524840

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide (CID 55351992) is N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The InChIKey is FPNWVCNEMBQCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-16-6-4-5-13-27(16)32(30,31)19-11-9-17(10-12-19)23(29)26-25-22(28)14-18-15-24-21-8-3-2-7-20(18)21/h2-3,7-12,15-16,24H,4-6,13-14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide has a molecular weight of 454.55 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 55351992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).