(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C20H26N2O5S — CID 92677455

IUPAC(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O5S/c1-5-27-19-9-7-6-8-16(19)14-21-20(23)15(2)22(28(4,24)25)17-10-12-18(26-3)13-11-17/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyJBDNIQSLKBEPPD-OAHLLOKOSA-N
MW406.50 g/mol
LogP2.56
Rot. Bonds9

About (2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 92677455) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is (2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID92677455
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O5S/c1-5-27-19-9-7-6-8-16(19)14-21-20(23)15(2)22(28(4,24)25)17-10-12-18(26-3)13-11-17/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyJBDNIQSLKBEPPD-OAHLLOKOSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 23740639
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1203934
(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94013320
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288205
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 133202204
N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286992
2-(4-methoxy-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166185
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 3610388
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 94472552
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 92677922
(2R)-N-[2-(2,3-dimethylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125081967

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 92677455) is (2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is JBDNIQSLKBEPPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-27-19-9-7-6-8-16(19)14-21-20(23)15(2)22(28(4,24)25)17-10-12-18(26-3)13-11-17/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 406.50 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 92677455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).