N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C20H20N2O6S — CID 31309961

IUPACN-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O6S/c1-25-14-9-12(10-15(26-2)18(14)27-3)11-21-20(24)16-6-7-17(29-16)22-19(23)13-5-4-8-28-13/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyIYGYGUSIUQHPJG-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.55
Rot. Bonds8

About N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 31309961) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID31309961
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC NameN-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O6S/c1-25-14-9-12(10-15(26-2)18(14)27-3)11-21-20(24)16-6-7-17(29-16)22-19(23)13-5-4-8-28-13/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyIYGYGUSIUQHPJG-UHFFFAOYSA-N
XLogP3.55
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 94049859
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284
N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33164416
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119
N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46593393
N-[5-[(2-hydroxycyclopentyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 111471137
N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55745988

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 31309961) is N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is COc1cc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)cc(OC)c1OC.
What is the InChIKey of N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is IYGYGUSIUQHPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-25-14-9-12(10-15(26-2)18(14)27-3)11-21-20(24)16-6-7-17(29-16)22-19(23)13-5-4-8-28-13/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31309961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).