2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide

C22H30N2O4S — CID 100584779

IUPAC2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCCc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-6-17-10-8-9-11-20(17)24(29(5,26)27)15-22(25)23-19(7-2)18-12-13-21(28-4)16(3)14-18/h8-14,19H,6-7,15H2,1-5H3,(H,23,25)/t19-/m0/s1
InChIKeyUZAZZOFMJRSDAZ-IBGZPJMESA-N
MW418.56 g/mol
LogP3.60
Rot. Bonds9

About 2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide

2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide (PubChem CID 100584779) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
PubChem CID100584779
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCCc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-6-17-10-8-9-11-20(17)24(29(5,26)27)15-22(25)23-19(7-2)18-12-13-21(28-4)16(3)14-18/h8-14,19H,6-7,15H2,1-5H3,(H,23,25)/t19-/m0/s1
InChIKeyUZAZZOFMJRSDAZ-IBGZPJMESA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133161076
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 100665459
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100536656
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303449
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 30388896
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 100615499
N-[1-(3,4-dimethylphenyl)propyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43901691
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895681
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100732311
2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133185850
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 125057942

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide (CID 100584779) is 2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide is CCc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)c(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The InChIKey is UZAZZOFMJRSDAZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-17-10-8-9-11-20(17)24(29(5,26)27)15-22(25)23-19(7-2)18-12-13-21(28-4)16(3)14-18/h8-14,19H,6-7,15H2,1-5H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide has a molecular weight of 418.56 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 100584779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).