2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

C22H31N3O5S — CID 17478550

IUPAC2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1
InChIInChI=1S/C22H31N3O5S/c1-14-8-10-18(31(27,28)25(4)5)13-20(14)24-22(26)16(3)23-15(2)19-12-17(29-6)9-11-21(19)30-7/h8-13,15-16,23H,1-7H3,(H,24,26)
InChIKeyPBBWDCYHFZPDJP-UHFFFAOYSA-N
MW449.57 g/mol
LogP2.94
Rot. Bonds9

About 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (PubChem CID 17478550) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
PubChem CID17478550
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC Name2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1
InChIInChI=1S/C22H31N3O5S/c1-14-8-10-18(31(27,28)25(4)5)13-20(14)24-22(26)16(3)23-15(2)19-12-17(29-6)9-11-21(19)30-7/h8-13,15-16,23H,1-7H3,(H,24,26)
InChIKeyPBBWDCYHFZPDJP-UHFFFAOYSA-N
XLogP2.94
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
(E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide
CID 7689072
N-(2-chlorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 51245585
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-phenylpropanamide
CID 51226942
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43401048
(2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide
CID 26642114
N-(2,4-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]propanamide
CID 51244084
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
CID 61258908
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 41216514
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45351312

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (CID 17478550) is 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is COc1ccc(OC)c(C(C)NC(C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The InChIKey is PBBWDCYHFZPDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-14-8-10-18(31(27,28)25(4)5)13-20(14)24-22(26)16(3)23-15(2)19-12-17(29-6)9-11-21(19)30-7/h8-13,15-16,23H,1-7H3,(H,24,26).
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide has a molecular weight of 449.57 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 17478550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).