2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid

C16H18N2O6S — CID 120822531

IUPAC2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc1C(=O)O
InChIInChI=1S/C16H18N2O6S/c1-3-13-12(16(20)21)8-14(24-13)15(19)17-9-10-4-6-11(7-5-10)18-25(2,22)23/h4-8,18H,3,9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyAKOZXLPZYCQHAU-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.84
Rot. Bonds7

About 2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid

2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120822531) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid
PubChem CID120822531
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc1C(=O)O
InChIInChI=1S/C16H18N2O6S/c1-3-13-12(16(20)21)8-14(24-13)15(19)17-9-10-4-6-11(7-5-10)18-25(2,22)23/h4-8,18H,3,9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyAKOZXLPZYCQHAU-UHFFFAOYSA-N
XLogP1.84
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000
2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821415
5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822028
5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821790
2-ethyl-5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120820753
2-ethyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822190
5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822057
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821645
5-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821434

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid (CID 120822531) is 2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is AKOZXLPZYCQHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-3-13-12(16(20)21)8-14(24-13)15(19)17-9-10-4-6-11(7-5-10)18-25(2,22)23/h4-8,18H,3,9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 366.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).