N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C18H15ClN2O4S — CID 86857844

IUPACN-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c(Cl)c1
InChIInChI=1S/C18H15ClN2O4S/c1-10-8-15(21-17(22)14-4-3-7-25-14)26-16(10)18(23)20-13-6-5-11(24-2)9-12(13)19/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyMEXVCAOQNPOTLZ-UHFFFAOYSA-N
MW390.85 g/mol
LogP4.82
Rot. Bonds5

About N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 86857844) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID86857844
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC NameN-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c(Cl)c1
InChIInChI=1S/C18H15ClN2O4S/c1-10-8-15(21-17(22)14-4-3-7-25-14)26-16(10)18(23)20-13-6-5-11(24-2)9-12(13)19/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyMEXVCAOQNPOTLZ-UHFFFAOYSA-N
XLogP4.82
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207
N-[5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 34754518
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
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-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide
CID 60581190
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-[5-[(3-chloro-4-cyclopentyloxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 60574915
N-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25476963
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 86857844) is N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is COc1ccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c(Cl)c1.
What is the InChIKey of N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is MEXVCAOQNPOTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c1-10-8-15(21-17(22)14-4-3-7-25-14)26-16(10)18(23)20-13-6-5-11(24-2)9-12(13)19/h3-9H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86857844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).