N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide

C20H25N3O3S — CID 22518829

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1
InChIInChI=1S/C20H25N3O3S/c1-20(2)17-12-16(10-11-18(17)23(5)19(20)24)27(25,26)21-13-14-6-8-15(9-7-14)22(3)4/h6-12,21H,13H2,1-5H3
InChIKeyFDCCWCZLLBBUHK-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.49
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide

N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide (PubChem CID 22518829) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
PubChem CID22518829
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1
InChIInChI=1S/C20H25N3O3S/c1-20(2)17-12-16(10-11-18(17)23(5)19(20)24)27(25,26)21-13-14-6-8-15(9-7-14)22(3)4/h6-12,21H,13H2,1-5H3
InChIKeyFDCCWCZLLBBUHK-UHFFFAOYSA-N
XLogP2.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide (CID 22518829) is N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide is CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The InChIKey is FDCCWCZLLBBUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-20(2)17-12-16(10-11-18(17)23(5)19(20)24)27(25,26)21-13-14-6-8-15(9-7-14)22(3)4/h6-12,21H,13H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 22518829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).