(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide

C23H26N2O3S — CID 125063438

IUPAC(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
SMILESCc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1
InChIInChI=1S/C23H26N2O3S/c1-16-9-10-17(2)22(13-16)25(29(4,27)28)18(3)23(26)24-15-19-11-12-20-7-5-6-8-21(20)14-19/h5-14,18H,15H2,1-4H3,(H,24,26)/t18-/m1/s1
InChIKeyMBLNYZFOUHZPOG-GOSISDBHSA-N
MW410.54 g/mol
LogP3.93
Rot. Bonds6

About (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide

(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide (PubChem CID 125063438) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
PubChem CID125063438
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
SMILESCc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1
InChIInChI=1S/C23H26N2O3S/c1-16-9-10-17(2)22(13-16)25(29(4,27)28)18(3)23(26)24-15-19-11-12-20-7-5-6-8-21(20)14-19/h5-14,18H,15H2,1-4H3,(H,24,26)/t18-/m1/s1
InChIKeyMBLNYZFOUHZPOG-GOSISDBHSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218795
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218878
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 133229341
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218889
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166200
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 19061986
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132659229
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125086273
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92764890
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide (CID 125063438) is (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide is Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
The InChIKey is MBLNYZFOUHZPOG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16-9-10-17(2)22(13-16)25(29(4,27)28)18(3)23(26)24-15-19-11-12-20-7-5-6-8-21(20)14-19/h5-14,18H,15H2,1-4H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide has a molecular weight of 410.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide is sourced from PubChem (CID 125063438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).