N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide

C28H33N3O5S — CID 25234688

IUPACN-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide
SMILESCOc1c(-c2ccc3c(c2)CC=C3C(C)(C)NS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C28H33N3O5S/c1-27(2,3)23-16-19(31-13-12-24(32)29-26(31)33)15-21(25(23)36-6)18-8-10-20-17(14-18)9-11-22(20)28(4,5)30-37(7,34)35/h8,10-16,30H,9H2,1-7H3,(H,29,32,33)
InChIKeySZESPTRIDHGUMG-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.77
Rot. Bonds6

About N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide

N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide (PubChem CID 25234688) has the molecular formula C28H33N3O5S and a molecular weight of 523.66 g/mol. Its IUPAC name is N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide
PubChem CID25234688
Molecular FormulaC28H33N3O5S
Molecular Weight523.66 g/mol
Exact Mass523.21
IUPAC NameN-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide
SMILESCOc1c(-c2ccc3c(c2)CC=C3C(C)(C)NS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C28H33N3O5S/c1-27(2,3)23-16-19(31-13-12-24(32)29-26(31)33)15-21(25(23)36-6)18-8-10-20-17(14-18)9-11-22(20)28(4,5)30-37(7,34)35/h8,10-16,30H,9H2,1-7H3,(H,29,32,33)
InChIKeySZESPTRIDHGUMG-UHFFFAOYSA-N
XLogP3.77
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 56640146
CID 56640146
CID 57775240
CID 57775240
CID 25234281
CID 25234281
CID 25234639
CID 25234639
CID 59614553
CID 59614553
CID 56640669
CID 56640669
CID 25234361
CID 25234361
CID 25234444
CID 25234444
CID 25234446
CID 25234446
CID 25234655
CID 25234655
CID 25234686
CID 25234686
CID 25234687
CID 25234687

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide (CID 25234688) is N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide is COc1c(-c2ccc3c(c2)CC=C3C(C)(C)NS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide?
The InChIKey is SZESPTRIDHGUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5S/c1-27(2,3)23-16-19(31-13-12-24(32)29-26(31)33)15-21(25(23)36-6)18-8-10-20-17(14-18)9-11-22(20)28(4,5)30-37(7,34)35/h8,10-16,30H,9H2,1-7H3,(H,29,32,33).
What are the key properties of N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide?
N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide has a molecular weight of 523.66 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 25234688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).