methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate

C16H24N2O6S — CID 22907030

IUPACmethyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate
SMILESCOC(=O)C(CCN1CCOCC1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O6S/c1-22-13-3-5-14(6-4-13)25(20,21)17-15(16(19)23-2)7-8-18-9-11-24-12-10-18/h3-6,15,17H,7-12H2,1-2H3
InChIKeyYASRZYMEWOHJOI-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.24
Rot. Bonds8

About methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate

methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate (PubChem CID 22907030) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate
PubChem CID22907030
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Namemethyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate
SMILESCOC(=O)C(CCN1CCOCC1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O6S/c1-22-13-3-5-14(6-4-13)25(20,21)17-15(16(19)23-2)7-8-18-9-11-24-12-10-18/h3-6,15,17H,7-12H2,1-2H3
InChIKeyYASRZYMEWOHJOI-UHFFFAOYSA-N
XLogP0.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate
CID 10552402
(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide
CID 6667385
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
methyl 2-[(4-methoxyphenyl)sulfonylamino]-5-sulfanylpentanoate
CID 57142661
methyl (2S)-2-(chloroamino)-4-morpholin-4-ylbutanoate
CID 59414204
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide
CID 25046566
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
4-methoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
CID 110285725
4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 24980638
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate (CID 22907030) is methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate is COC(=O)C(CCN1CCOCC1)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate?
The InChIKey is YASRZYMEWOHJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-22-13-3-5-14(6-4-13)25(20,21)17-15(16(19)23-2)7-8-18-9-11-24-12-10-18/h3-6,15,17H,7-12H2,1-2H3.
What are the key properties of methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate?
methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate has a molecular weight of 372.44 g/mol, XLogP of 0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate is sourced from PubChem (CID 22907030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).