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

C19H15Cl2N3O4S — CID 31305744

IUPACN-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C19H15Cl2N3O4S/c1-24(10-16(25)22-11-4-5-12(20)13(21)9-11)19(27)15-6-7-17(29-15)23-18(26)14-3-2-8-28-14/h2-9H,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyKGRUTAVZTKJZSK-UHFFFAOYSA-N
MW452.32 g/mol
LogP4.61
Rot. Bonds6

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

N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 31305744) has the molecular formula C19H15Cl2N3O4S and a molecular weight of 452.32 g/mol. Its IUPAC name is N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID31305744
Molecular FormulaC19H15Cl2N3O4S
Molecular Weight452.32 g/mol
Exact Mass451.02
IUPAC NameN-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C19H15Cl2N3O4S/c1-24(10-16(25)22-11-4-5-12(20)13(21)9-11)19(27)15-6-7-17(29-15)23-18(26)14-3-2-8-28-14/h2-9H,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyKGRUTAVZTKJZSK-UHFFFAOYSA-N
XLogP4.61
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.32
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 85481980
5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9091886
N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330714
N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33164416
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47084300
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
N-[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 30889943
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
CID 47385052
N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31306387

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 31305744) is N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is KGRUTAVZTKJZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O4S/c1-24(10-16(25)22-11-4-5-12(20)13(21)9-11)19(27)15-6-7-17(29-15)23-18(26)14-3-2-8-28-14/h2-9H,10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 452.32 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31305744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).