ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate

C16H24N2O6S — CID 47926217

IUPACethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)C(C)NS(C)(=O)=O)c1cccc(OC)c1
InChIInChI=1S/C16H24N2O6S/c1-5-24-15(19)10-14(12-7-6-8-13(9-12)23-3)17-16(20)11(2)18-25(4,21)22/h6-9,11,14,18H,5,10H2,1-4H3,(H,17,20)
InChIKeyRIBLLQXXTDPLFM-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.74
Rot. Bonds9

About ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate

ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate (PubChem CID 47926217) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate
PubChem CID47926217
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Nameethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)C(C)NS(C)(=O)=O)c1cccc(OC)c1
InChIInChI=1S/C16H24N2O6S/c1-5-24-15(19)10-14(12-7-6-8-13(9-12)23-3)17-16(20)11(2)18-25(4,21)22/h6-9,11,14,18H,5,10H2,1-4H3,(H,17,20)
InChIKeyRIBLLQXXTDPLFM-UHFFFAOYSA-N
XLogP0.74
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
ethyl 3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55876426
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
ethyl 3-[(2-iodo-3-methylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879116
ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate
CID 55914953
ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 55879744
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55876804
ethyl 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55878086
ethyl 3-(3-methoxyphenyl)-3-[(4-nitrophenyl)methylsulfonylamino]propanoate
CID 56568203
ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate
CID 103258076
ethyl 3-(2-aminooxypropanoylamino)-3-(3-chlorophenyl)propanoate
CID 167929050
ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55876805

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate (CID 47926217) is ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate is CCOC(=O)CC(NC(=O)C(C)NS(C)(=O)=O)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate?
The InChIKey is RIBLLQXXTDPLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-5-24-15(19)10-14(12-7-6-8-13(9-12)23-3)17-16(20)11(2)18-25(4,21)22/h6-9,11,14,18H,5,10H2,1-4H3,(H,17,20).
What are the key properties of ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate?
ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate has a molecular weight of 372.44 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 47926217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).