N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide

C15H17N3O4S — CID 172989512

IUPACN-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide
SMILESCN(/N=C\CS(C)(=O)=O)C(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C15H17N3O4S/c1-17-10-12(11-6-4-5-7-13(11)17)14(19)15(20)18(2)16-8-9-23(3,21)22/h4-8,10H,9H2,1-3H3/b16-8-
InChIKeyCDLMDTSRHBGZGL-PXNMLYILSA-N
MW335.39 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide

N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide (PubChem CID 172989512) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide
PubChem CID172989512
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide
SMILESCN(/N=C\CS(C)(=O)=O)C(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C15H17N3O4S/c1-17-10-12(11-6-4-5-7-13(11)17)14(19)15(20)18(2)16-8-9-23(3,21)22/h4-8,10H,9H2,1-3H3/b16-8-
InChIKeyCDLMDTSRHBGZGL-PXNMLYILSA-N
XLogP0.85
TPSA88.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 113207712
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CID 594179
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
1-methylindole-3-carbothioic S-acid
CID 116918837
N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide
CID 10542762
[3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide
CID 162417037
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
CID 63650839
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
(E)-3-(2-hydroxyphenyl)-2-(1-methylindole-3-carbonyl)prop-2-enenitrile
CID 90671696

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide?
The IUPAC name of N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide (CID 172989512) is N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide.
What is the SMILES notation for N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide?
The canonical SMILES for N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide is CN(/N=C\CS(C)(=O)=O)C(=O)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide?
The InChIKey is CDLMDTSRHBGZGL-PXNMLYILSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-17-10-12(11-6-4-5-7-13(11)17)14(19)15(20)18(2)16-8-9-23(3,21)22/h4-8,10H,9H2,1-3H3/b16-8-.
What are the key properties of N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide?
N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide has a molecular weight of 335.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide is sourced from PubChem (CID 172989512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).