N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C19H18N2O5S — CID 51297207

IUPACN-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1
InChIInChI=1S/C19H18N2O5S/c1-11-9-16(21-18(22)15-5-4-8-26-15)27-17(11)19(23)20-13-10-12(24-2)6-7-14(13)25-3/h4-10H,1-3H3,(H,20,23)(H,21,22)
InChIKeyPYJHZMUFAIQWNL-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.17
Rot. Bonds6

About N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 51297207) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID51297207
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1
InChIInChI=1S/C19H18N2O5S/c1-11-9-16(21-18(22)15-5-4-8-26-15)27-17(11)19(23)20-13-10-12(24-2)6-7-14(13)25-3/h4-10H,1-3H3,(H,20,23)(H,21,22)
InChIKeyPYJHZMUFAIQWNL-UHFFFAOYSA-N
XLogP4.17
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 34754518
N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 86857844
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 33319271
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[1-(2-methoxyphenyl)ethyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55579377
N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55782529
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920
N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55588228
N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 51297207) is N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is COc1ccc(OC)c(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1.
What is the InChIKey of N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is PYJHZMUFAIQWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-11-9-16(21-18(22)15-5-4-8-26-15)27-17(11)19(23)20-13-10-12(24-2)6-7-14(13)25-3/h4-10H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51297207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).