(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C23H24N2O4S — CID 125058094

IUPAC(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S/c1-15(25(30(3,27)28)18-10-12-19(29-2)13-11-18)23(26)24-21-14-9-17-8-7-16-5-4-6-20(21)22(16)17/h4-6,9-15H,7-8H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyVTSXVIFPUPAFRA-OAHLLOKOSA-N
MW424.52 g/mol
LogP3.74
Rot. Bonds6

About (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 125058094) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID125058094
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S/c1-15(25(30(3,27)28)18-10-12-19(29-2)13-11-18)23(26)24-21-14-9-17-8-7-16-5-4-6-20(21)22(16)17/h4-6,9-15H,7-8H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyVTSXVIFPUPAFRA-OAHLLOKOSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133229238
(2S)-N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998674
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 2212233
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1203934
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
CID 126384842
N-(1-hydrazinyl-1-oxopropan-2-yl)-N-(4-methoxyphenyl)methanesulfonamide
CID 91671599
(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
(2S)-N-(4-iodophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998779
(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1131201
ethyl 2-[[(2S)-2-(4-methoxy-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 1004380
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 125058094) is (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N([C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is VTSXVIFPUPAFRA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15(25(30(3,27)28)18-10-12-19(29-2)13-11-18)23(26)24-21-14-9-17-8-7-16-5-4-6-20(21)22(16)17/h4-6,9-15H,7-8H2,1-3H3,(H,24,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 424.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 125058094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).