N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

C23H30N2O5S — CID 100698202

IUPACN-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC
InChIInChI=1S/C23H30N2O5S/c1-3-24(18-19-7-5-4-6-8-19)23(26)12-9-20-17-21(10-11-22(20)29-2)31(27,28)25-13-15-30-16-14-25/h4-8,10-11,17H,3,9,12-16,18H2,1-2H3
InChIKeyITUMOMOTVHYCOU-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.70
Rot. Bonds9

About N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 100698202) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID100698202
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC
InChIInChI=1S/C23H30N2O5S/c1-3-24(18-19-7-5-4-6-8-19)23(26)12-9-20-17-21(10-11-22(20)29-2)31(27,28)25-13-15-30-16-14-25/h4-8,10-11,17H,3,9,12-16,18H2,1-2H3
InChIKeyITUMOMOTVHYCOU-UHFFFAOYSA-N
XLogP2.70
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate
CID 55513242
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 100619459
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 34736303
N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 9094422
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 100767673
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-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165831
N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 133161383
methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
CID 100692700

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 100698202) is N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is CCN(Cc1ccccc1)C(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC.
What is the InChIKey of N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is ITUMOMOTVHYCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-3-24(18-19-7-5-4-6-8-19)23(26)12-9-20-17-21(10-11-22(20)29-2)31(27,28)25-13-15-30-16-14-25/h4-8,10-11,17H,3,9,12-16,18H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 446.57 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 100698202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).