N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

C21H22N2O4S — CID 75470102

IUPACN-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCSCc1ccnc(NC(=O)c2ccc(COc3ccccc3OC)o2)c1
InChIInChI=1S/C21H22N2O4S/c1-3-28-14-15-10-11-22-20(12-15)23-21(24)19-9-8-16(27-19)13-26-18-7-5-4-6-17(18)25-2/h4-12H,3,13-14H2,1-2H3,(H,22,23,24)
InChIKeyZHOKVPGLSVHRDJ-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.77
Rot. Bonds9

About N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 75470102) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID75470102
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCSCc1ccnc(NC(=O)c2ccc(COc3ccccc3OC)o2)c1
InChIInChI=1S/C21H22N2O4S/c1-3-28-14-15-10-11-22-20(12-15)23-21(24)19-9-8-16(27-19)13-26-18-7-5-4-6-17(18)25-2/h4-12H,3,13-14H2,1-2H3,(H,22,23,24)
InChIKeyZHOKVPGLSVHRDJ-UHFFFAOYSA-N
XLogP4.77
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 75358513
5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
CID 3153929
N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
5-[(2-methoxyphenoxy)methyl]-N'-pyrimidin-2-ylfuran-2-carbohydrazide
CID 87015415
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
N-[2-(ethylamino)-2-oxoethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 86997976
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
5-[(2-methoxyphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19467514
4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19467688
methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781590
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 49168966

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (CID 75470102) is N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is CCSCc1ccnc(NC(=O)c2ccc(COc3ccccc3OC)o2)c1.
What is the InChIKey of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is ZHOKVPGLSVHRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-28-14-15-10-11-22-20(12-15)23-21(24)19-9-8-16(27-19)13-26-18-7-5-4-6-17(18)25-2/h4-12H,3,13-14H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 75470102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).