N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide

C20H26N2O4S — CID 132659326

IUPACN-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(CNC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-26-19-11-9-17(10-12-19)14-21-20(23)16(3)22(27(4,24)25)18-8-6-7-15(2)13-18/h6-13,16H,5,14H2,1-4H3,(H,21,23)
InChIKeyXIZNSZHJMSINTR-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.86
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide

N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 132659326) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
PubChem CID132659326
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(CNC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-26-19-11-9-17(10-12-19)14-21-20(23)16(3)22(27(4,24)25)18-8-6-7-15(2)13-18/h6-13,16H,5,14H2,1-4H3,(H,21,23)
InChIKeyXIZNSZHJMSINTR-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 92677922
(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94013320
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132670248
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 99130827
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94014290
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 99958788
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125072340
N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132660625
2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 125070834
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132666327

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide (CID 132659326) is N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide is CCOc1ccc(CNC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is XIZNSZHJMSINTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-26-19-11-9-17(10-12-19)14-21-20(23)16(3)22(27(4,24)25)18-8-6-7-15(2)13-18/h6-13,16H,5,14H2,1-4H3,(H,21,23).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132659326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).