N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

C25H34N2O5S — CID 133161383

IUPACN-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCC(NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(C)c(C)c1
InChIInChI=1S/C25H34N2O5S/c1-5-23(20-7-6-18(2)19(3)16-20)26-25(28)11-8-21-17-22(9-10-24(21)31-4)33(29,30)27-12-14-32-15-13-27/h6-7,9-10,16-17,23H,5,8,11-15H2,1-4H3,(H,26,28)
InChIKeyGIYWYJZWFZHPSX-UHFFFAOYSA-N
MW474.62 g/mol
LogP3.53
Rot. Bonds9

About N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 133161383) has the molecular formula C25H34N2O5S and a molecular weight of 474.62 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID133161383
Molecular FormulaC25H34N2O5S
Molecular Weight474.62 g/mol
Exact Mass474.22
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCC(NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(C)c(C)c1
InChIInChI=1S/C25H34N2O5S/c1-5-23(20-7-6-18(2)19(3)16-20)26-25(28)11-8-21-17-22(9-10-24(21)31-4)33(29,30)27-12-14-32-15-13-27/h6-7,9-10,16-17,23H,5,8,11-15H2,1-4H3,(H,26,28)
InChIKeyGIYWYJZWFZHPSX-UHFFFAOYSA-N
XLogP3.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165831
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680617
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680604
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 100545266
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 133164943
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 100642212
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100679907
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 133162026
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 100619459
methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
CID 100692700

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 133161383) is N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is CCC(NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is GIYWYJZWFZHPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5S/c1-5-23(20-7-6-18(2)19(3)16-20)26-25(28)11-8-21-17-22(9-10-24(21)31-4)33(29,30)27-12-14-32-15-13-27/h6-7,9-10,16-17,23H,5,8,11-15H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 474.62 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 133161383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).