2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide

C21H24N4O3S — CID 22775976

IUPAC2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
SMILESCCCCc1ccc(S(=O)(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)cc1
InChIInChI=1S/C21H24N4O3S/c1-2-3-6-16-9-11-18(12-10-16)29(27,28)24-23-13-17-14-25(15-21(22)26)20-8-5-4-7-19(17)20/h4-5,7-14,24H,2-3,6,15H2,1H3,(H2,22,26)/b23-13-
InChIKeyVBGZVQPJMFQMFE-QRVIBDJDSA-N
MW412.52 g/mol
LogP2.78
Rot. Bonds9

About 2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide

2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide (PubChem CID 22775976) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
PubChem CID22775976
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
SMILESCCCCc1ccc(S(=O)(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)cc1
InChIInChI=1S/C21H24N4O3S/c1-2-3-6-16-9-11-18(12-10-16)29(27,28)24-23-13-17-14-25(15-21(22)26)20-8-5-4-7-19(17)20/h4-5,7-14,24H,2-3,6,15H2,1H3,(H2,22,26)/b23-13-
InChIKeyVBGZVQPJMFQMFE-QRVIBDJDSA-N
XLogP2.78
TPSA106.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3641081
N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
CID 73346537
N-[(1-benzylindol-3-yl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 4508949
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
2-[3-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]indol-1-yl]acetamide
CID 126343685
N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 23476860
4-bromo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 110516037
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide
CID 126389678
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3919047

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide (CID 22775976) is 2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide is CCCCc1ccc(S(=O)(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)cc1.
What is the InChIKey of 2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide?
The InChIKey is VBGZVQPJMFQMFE-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-2-3-6-16-9-11-18(12-10-16)29(27,28)24-23-13-17-14-25(15-21(22)26)20-8-5-4-7-19(17)20/h4-5,7-14,24H,2-3,6,15H2,1H3,(H2,22,26)/b23-13-.
What are the key properties of 2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide?
2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide has a molecular weight of 412.52 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 22775976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).