N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide

C16H22N2O3S — CID 50760008

IUPACN-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2C
InChIInChI=1S/C16H22N2O3S/c1-6-11(4)17-22(20,21)12-7-8-14-13(9-12)15(10(2)3)16(19)18(14)5/h7-9,11,17H,6H2,1-5H3
InChIKeyVDDVZMSWMOCUNI-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.53
Rot. Bonds4

About N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide

N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide (PubChem CID 50760008) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide
PubChem CID50760008
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2C
InChIInChI=1S/C16H22N2O3S/c1-6-11(4)17-22(20,21)12-7-8-14-13(9-12)15(10(2)3)16(19)18(14)5/h7-9,11,17H,6H2,1-5H3
InChIKeyVDDVZMSWMOCUNI-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide
CID 50760091
N-[(2S)-butan-2-yl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019233
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
N-(4-hydroxy-4-phenylbutan-2-yl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 71852824
3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
CID 67008794
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 93065305
N-[(2R)-butan-2-yl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 90259153

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide?
The IUPAC name of N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide (CID 50760008) is N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide.
What is the SMILES notation for N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide?
The canonical SMILES for N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide is CCC(C)NS(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2C.
What is the InChIKey of N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide?
The InChIKey is VDDVZMSWMOCUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-6-11(4)17-22(20,21)12-7-8-14-13(9-12)15(10(2)3)16(19)18(14)5/h7-9,11,17H,6H2,1-5H3.
What are the key properties of N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide?
N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide is sourced from PubChem (CID 50760008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).