N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide

C19H18N2O4S — CID 90862769

IUPACN-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide
SMILESCC(=O)N(c1c(C)n(C(=O)c2ccccc2)c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C19H18N2O4S/c1-13-18(21(14(2)22)26(3,24)25)16-11-7-8-12-17(16)20(13)19(23)15-9-5-4-6-10-15/h4-12H,1-3H3
InChIKeyLUCLJUUTRWAETA-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.95
Rot. Bonds3

About N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide

N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide (PubChem CID 90862769) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide
PubChem CID90862769
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide
SMILESCC(=O)N(c1c(C)n(C(=O)c2ccccc2)c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C19H18N2O4S/c1-13-18(21(14(2)22)26(3,24)25)16-11-7-8-12-17(16)20(13)19(23)15-9-5-4-6-10-15/h4-12H,1-3H3
InChIKeyLUCLJUUTRWAETA-UHFFFAOYSA-N
XLogP2.95
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylcarbazol-9-yl)-phenylmethanone
CID 71277217
8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid
CID 142660583
(2,3-dimethylideneindol-1-yl)-phenylmethanone
CID 24978319
(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone
CID 164524647
carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
1-carbazol-9-ylethanone;ethane
CID 142183368
(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone
CID 22569367
1-(3-chlorobenzoyl)-2-methylindole-3-carbaldehyde
CID 91690380
(2-amino-1-benzoylindol-3-yl)-phenylmethanone
CID 51700673
ethyl 1-benzoyl-3-bromoindole-2-carboxylate
CID 68975642
2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid
CID 91690277
1-(4-butoxybenzoyl)-2-methylindole-3-carboxamide
CID 91690683

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide?
The IUPAC name of N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide (CID 90862769) is N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide.
What is the SMILES notation for N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide?
The canonical SMILES for N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide is CC(=O)N(c1c(C)n(C(=O)c2ccccc2)c2ccccc12)S(C)(=O)=O.
What is the InChIKey of N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide?
The InChIKey is LUCLJUUTRWAETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-13-18(21(14(2)22)26(3,24)25)16-11-7-8-12-17(16)20(13)19(23)15-9-5-4-6-10-15/h4-12H,1-3H3.
What are the key properties of N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide?
N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide has a molecular weight of 370.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide is sourced from PubChem (CID 90862769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).