3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

C23H30N2O7S2 — CID 133165831

IUPAC3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H30N2O7S2/c1-17(18-4-7-20(8-5-18)33(3,27)28)24-23(26)11-6-19-16-21(9-10-22(19)31-2)34(29,30)25-12-14-32-15-13-25/h4-5,7-10,16-17H,6,11-15H2,1-3H3,(H,24,26)
InChIKeyNDIIQMWQKUUUGZ-UHFFFAOYSA-N
MW510.63 g/mol
LogP1.93
Rot. Bonds9

About 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 133165831) has the molecular formula C23H30N2O7S2 and a molecular weight of 510.63 g/mol. Its IUPAC name is 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID133165831
Molecular FormulaC23H30N2O7S2
Molecular Weight510.63 g/mol
Exact Mass510.15
IUPAC Name3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H30N2O7S2/c1-17(18-4-7-20(8-5-18)33(3,27)28)24-23(26)11-6-19-16-21(9-10-22(19)31-2)34(29,30)25-12-14-32-15-13-25/h4-5,7-10,16-17H,6,11-15H2,1-3H3,(H,24,26)
InChIKeyNDIIQMWQKUUUGZ-UHFFFAOYSA-N
XLogP1.93
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.63
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 100642212
N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 133161383
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
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
CID 100692700
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 43873383
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 100619459
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900449
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 133165831) is 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is NDIIQMWQKUUUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O7S2/c1-17(18-4-7-20(8-5-18)33(3,27)28)24-23(26)11-6-19-16-21(9-10-22(19)31-2)34(29,30)25-12-14-32-15-13-25/h4-5,7-10,16-17H,6,11-15H2,1-3H3,(H,24,26).
What are the key properties of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 510.63 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 133165831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).