N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide

C23H22N2O4S — CID 133185447

IUPACN-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1
InChIInChI=1S/C23H22N2O4S/c1-15-8-11-18(12-9-15)25(30(3,27)28)16(2)23(26)24-17-10-13-20-19-6-4-5-7-21(19)29-22(20)14-17/h4-14,16H,1-3H3,(H,24,26)
InChIKeyFRYSQZMRXLQJLR-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.69
Rot. Bonds5

About N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide

N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 133185447) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID133185447
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1
InChIInChI=1S/C23H22N2O4S/c1-15-8-11-18(12-9-15)25(30(3,27)28)16(2)23(26)24-17-10-13-20-19-6-4-5-7-21(19)29-22(20)14-17/h4-14,16H,1-3H3,(H,24,26)
InChIKeyFRYSQZMRXLQJLR-UHFFFAOYSA-N
XLogP4.69
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,4-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126386869
(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126384834
(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234672
2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 2964511
N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133234650
(2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100553732
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126412221
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126416687
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
CID 126384842
N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2978487
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234263

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 133185447) is N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(C(C)C(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is FRYSQZMRXLQJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-15-8-11-18(12-9-15)25(30(3,27)28)16(2)23(26)24-17-10-13-20-19-6-4-5-7-21(19)29-22(20)14-17/h4-14,16H,1-3H3,(H,24,26).
What are the key properties of N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 422.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133185447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).