ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate

C14H20N2O6S — CID 51099918

IUPACethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCN(CC1CC1)C(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C14H20N2O6S/c1-2-21-12(17)7-8-16(9-10-3-4-10)14(18)11-5-6-13(22-11)23(15,19)20/h5-6,10H,2-4,7-9H2,1H3,(H2,15,19,20)
InChIKeyRLXAQCPGMSMTMP-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.73
Rot. Bonds8

About ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate

ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate (PubChem CID 51099918) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate
PubChem CID51099918
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Nameethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCN(CC1CC1)C(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C14H20N2O6S/c1-2-21-12(17)7-8-16(9-10-3-4-10)14(18)11-5-6-13(22-11)23(15,19)20/h5-6,10H,2-4,7-9H2,1H3,(H2,15,19,20)
InChIKeyRLXAQCPGMSMTMP-UHFFFAOYSA-N
XLogP0.73
TPSA119.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate (CID 51099918) is ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate is CCOC(=O)CCN(CC1CC1)C(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate?
The InChIKey is RLXAQCPGMSMTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-2-21-12(17)7-8-16(9-10-3-4-10)14(18)11-5-6-13(22-11)23(15,19)20/h5-6,10H,2-4,7-9H2,1H3,(H2,15,19,20).
What are the key properties of ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate?
ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate has a molecular weight of 344.39 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropylmethyl-(5-sulfamoylfuran-2-carbonyl)amino]propanoate is sourced from PubChem (CID 51099918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).