(NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide

C20H22N2OS — CID 176845510

IUPAC(NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C\c1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C20H22N2OS/c1-20(2,3)24(23)21-14-17-10-7-11-19-18(17)12-13-22(19)15-16-8-5-4-6-9-16/h4-14H,15H2,1-3H3/b21-14-
InChIKeyICQDREMXEUAJMO-STZFKDTASA-N
MW338.48 g/mol
LogP4.57
Rot. Bonds4

About (NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide

(NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 176845510) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is (NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID176845510
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name(NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C\c1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C20H22N2OS/c1-20(2,3)24(23)21-14-17-10-7-11-19-18(17)12-13-22(19)15-16-8-5-4-6-9-16/h4-14H,15H2,1-3H3/b21-14-
InChIKeyICQDREMXEUAJMO-STZFKDTASA-N
XLogP4.57
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-tert-butylphenyl)methyl]indole-4-carbaldehyde
CID 155672678
1-[[4-(trifluoromethyl)phenyl]methyl]indole-4-carbaldehyde
CID 11044881
(NE)-N-[(3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 89405877
1-benzylindole-4-carbohydrazide
CID 154701001
N-(1-benzylindol-4-yl)-3-hydroxypropanamide
CID 176845425
(R)-N-[(3-fluoro-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167713018
[4,5-dichloro-2-[(4-methanehydrazonoylindol-1-yl)methyl]phenyl]methanol
CID 67483057
3-[(4-cyanoindol-1-yl)methyl]benzoic acid
CID 107918513
N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
CID 176845405
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794
(5Z)-5-[[1-[(3-methylphenyl)methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973244
2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid
CID 68655502

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide (CID 176845510) is (NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)/N=C\c1cccc2c1ccn2Cc1ccccc1.
What is the InChIKey of (NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ICQDREMXEUAJMO-STZFKDTASA-N. The full InChI is InChI=1S/C20H22N2OS/c1-20(2,3)24(23)21-14-17-10-7-11-19-18(17)12-13-22(19)15-16-8-5-4-6-9-16/h4-14H,15H2,1-3H3/b21-14-.
What are the key properties of (NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide?
(NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 338.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 176845510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).