N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide

C25H32N2O3S — CID 170575921

IUPACN-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide
SMILESCC1c2ccccc2C(C)C1Nc1ccc(CN(C)C(=O)C2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C25H32N2O3S/c1-17-22-6-4-5-7-23(22)18(2)24(17)26-21-10-8-19(9-11-21)16-27(3)25(28)20-12-14-31(29,30)15-13-20/h4-11,17-18,20,24,26H,12-16H2,1-3H3
InChIKeyPNHMGYOSCAUMDI-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.17
Rot. Bonds5

About N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide

N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide (PubChem CID 170575921) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide
PubChem CID170575921
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC NameN-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide
SMILESCC1c2ccccc2C(C)C1Nc1ccc(CN(C)C(=O)C2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C25H32N2O3S/c1-17-22-6-4-5-7-23(22)18(2)24(17)26-21-10-8-19(9-11-21)16-27(3)25(28)20-12-14-31(29,30)15-13-20/h4-11,17-18,20,24,26H,12-16H2,1-3H3
InChIKeyPNHMGYOSCAUMDI-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide?
The IUPAC name of N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide (CID 170575921) is N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide.
What is the SMILES notation for N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide?
The canonical SMILES for N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide is CC1c2ccccc2C(C)C1Nc1ccc(CN(C)C(=O)C2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide?
The InChIKey is PNHMGYOSCAUMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-17-22-6-4-5-7-23(22)18(2)24(17)26-21-10-8-19(9-11-21)16-27(3)25(28)20-12-14-31(29,30)15-13-20/h4-11,17-18,20,24,26H,12-16H2,1-3H3.
What are the key properties of N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide?
N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1,3-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]phenyl]methyl]-N-methyl-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 170575921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).