N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide

C20H26N2O4S — CID 92681523

IUPACN-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCC[C@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-19(16-9-11-18(26-3)12-10-16)21-20(23)14-22(27(4,24)25)17-8-6-7-15(2)13-17/h6-13,19H,5,14H2,1-4H3,(H,21,23)/t19-/m0/s1
InChIKeyRNAHMVIWQISXLP-IBGZPJMESA-N
MW390.51 g/mol
LogP3.04
Rot. Bonds8

About N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 92681523) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID92681523
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCC[C@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-19(16-9-11-18(26-3)12-10-16)21-20(23)14-22(27(4,24)25)17-8-6-7-15(2)13-17/h6-13,19H,5,14H2,1-4H3,(H,21,23)/t19-/m0/s1
InChIKeyRNAHMVIWQISXLP-IBGZPJMESA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30244083
N-[1-(4-methoxyphenyl)propyl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
CID 132666977
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43896154
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 92685281
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92679208
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30219828
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28631718
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28577972

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 92681523) is N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide is CC[C@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is RNAHMVIWQISXLP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-19(16-9-11-18(26-3)12-10-16)21-20(23)14-22(27(4,24)25)17-8-6-7-15(2)13-17/h6-13,19H,5,14H2,1-4H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 92681523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).