4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide

C20H24N2O5S — CID 8712994

IUPAC4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24N2O5S/c1-15(16-6-4-3-5-7-16)21-20(23)17-8-9-18(26-2)19(14-17)28(24,25)22-10-12-27-13-11-22/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyCZQPNCMUEGEIRK-HNNXBMFYSA-N
MW404.49 g/mol
LogP2.21
Rot. Bonds6

About 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide

4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 8712994) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
PubChem CID8712994
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24N2O5S/c1-15(16-6-4-3-5-7-16)21-20(23)17-8-9-18(26-2)19(14-17)28(24,25)22-10-12-27-13-11-22/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyCZQPNCMUEGEIRK-HNNXBMFYSA-N
XLogP2.21
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 28557822
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4845845
[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 8873587
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26883051
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 2704705
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27773305
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 28557782
3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883151
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 43060653
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide (CID 8712994) is 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide is COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is CZQPNCMUEGEIRK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15(16-6-4-3-5-7-16)21-20(23)17-8-9-18(26-2)19(14-17)28(24,25)22-10-12-27-13-11-22/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide?
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 8712994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).