N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide

C20H18N4O4S — CID 55788905

IUPACN'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide
SMILESN#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H18N4O4S/c21-10-14-5-7-15(8-6-14)12-29(27,28)13-20(26)24-23-19(25)9-16-11-22-18-4-2-1-3-17(16)18/h1-8,11,22H,9,12-13H2,(H,23,25)(H,24,26)
InChIKeyCSVUCQKUXLZKTO-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.34
Rot. Bonds6

About N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide

N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide (PubChem CID 55788905) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide
PubChem CID55788905
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC NameN'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide
SMILESN#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H18N4O4S/c21-10-14-5-7-15(8-6-14)12-29(27,28)13-20(26)24-23-19(25)9-16-11-22-18-4-2-1-3-17(16)18/h1-8,11,22H,9,12-13H2,(H,23,25)(H,24,26)
InChIKeyCSVUCQKUXLZKTO-UHFFFAOYSA-N
XLogP1.34
TPSA131.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030
N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
CID 47029588
N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide
CID 10857646
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152503
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
2-[(4-cyanophenyl)methylsulfonyl]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 55759973
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The IUPAC name of N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide (CID 55788905) is N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide is N#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The InChIKey is CSVUCQKUXLZKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c21-10-14-5-7-15(8-6-14)12-29(27,28)13-20(26)24-23-19(25)9-16-11-22-18-4-2-1-3-17(16)18/h1-8,11,22H,9,12-13H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide?
N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide has a molecular weight of 410.46 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide is sourced from PubChem (CID 55788905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).