2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide

C20H22N4O4S — CID 137143666

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
SMILESCc1cccc(N(CC(=O)/N=N/c2c(O)n(C)c3ccccc23)S(C)(=O)=O)c1C
InChIInChI=1S/C20H22N4O4S/c1-13-8-7-11-16(14(13)2)24(29(4,27)28)12-18(25)21-22-19-15-9-5-6-10-17(15)23(3)20(19)26/h5-11,26H,12H2,1-4H3/b22-21+
InChIKeyRUPHGGFZSZTTBU-QURGRASLSA-N
MW414.49 g/mol
LogP3.58
Rot. Bonds5

About 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide (PubChem CID 137143666) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
PubChem CID137143666
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
SMILESCc1cccc(N(CC(=O)/N=N/c2c(O)n(C)c3ccccc23)S(C)(=O)=O)c1C
InChIInChI=1S/C20H22N4O4S/c1-13-8-7-11-16(14(13)2)24(29(4,27)28)12-18(25)21-22-19-15-9-5-6-10-17(15)23(3)20(19)26/h5-11,26H,12H2,1-4H3/b22-21+
InChIKeyRUPHGGFZSZTTBU-QURGRASLSA-N
XLogP3.58
TPSA104.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 137143472
2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137149883
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143636
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068669
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 137149870
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068586
N-(2-hydroxy-1-methylindol-3-yl)imino-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 135993419
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068604
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143497
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
CID 3371203
2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
CID 975035
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide (CID 137143666) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide is Cc1cccc(N(CC(=O)/N=N/c2c(O)n(C)c3ccccc23)S(C)(=O)=O)c1C.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The InChIKey is RUPHGGFZSZTTBU-QURGRASLSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-13-8-7-11-16(14(13)2)24(29(4,27)28)12-18(25)21-22-19-15-9-5-6-10-17(15)23(3)20(19)26/h5-11,26H,12H2,1-4H3/b22-21+.
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide has a molecular weight of 414.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide is sourced from PubChem (CID 137143666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).