2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide

C23H31N3O5S — CID 132676199

IUPAC2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
SMILESCCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)C(C)C(=O)NC)S(C)(=O)=O)cc1
InChIInChI=1S/C23H31N3O5S/c1-6-18-7-11-20(12-8-18)26(32(5,29)30)16-22(27)25(17(2)23(28)24-3)15-19-9-13-21(31-4)14-10-19/h7-14,17H,6,15-16H2,1-5H3,(H,24,28)
InChIKeyMHQGSCCZEMLNLT-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.19
Rot. Bonds10

About 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide

2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide (PubChem CID 132676199) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
PubChem CID132676199
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
SMILESCCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)C(C)C(=O)NC)S(C)(=O)=O)cc1
InChIInChI=1S/C23H31N3O5S/c1-6-18-7-11-20(12-8-18)26(32(5,29)30)16-22(27)25(17(2)23(28)24-3)15-19-9-13-21(31-4)14-10-19/h7-14,17H,6,15-16H2,1-5H3,(H,24,28)
InChIKeyMHQGSCCZEMLNLT-UHFFFAOYSA-N
XLogP2.19
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[benzyl-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 100563625
2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132678670
2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132676189
(2S)-2-[(4-bromophenyl)methyl-[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 100649068
2-[benzyl-[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 132674229
2-[(4-bromophenyl)methyl-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-ethylpropanamide
CID 132622991
2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132944588
2-[benzyl-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide
CID 132676228
2-[(4-methoxyphenyl)methyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 132676259
2-[[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132683610
2-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132683518
2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132673574

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide (CID 132676199) is 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide is CCc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)C(C)C(=O)NC)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The InChIKey is MHQGSCCZEMLNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-6-18-7-11-20(12-8-18)26(32(5,29)30)16-22(27)25(17(2)23(28)24-3)15-19-9-13-21(31-4)14-10-19/h7-14,17H,6,15-16H2,1-5H3,(H,24,28).
What are the key properties of 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide has a molecular weight of 461.58 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132676199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).