N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C19H17ClN2O4S — CID 33164416

IUPACN-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C19H17ClN2O4S/c1-22(11-12-10-13(20)5-6-14(12)25-2)19(24)16-7-8-17(27-16)21-18(23)15-4-3-9-26-15/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyYLJQWQLUBAIXAF-UHFFFAOYSA-N
MW404.88 g/mol
LogP4.53
Rot. Bonds6

About N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 33164416) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID33164416
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC NameN-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C19H17ClN2O4S/c1-22(11-12-10-13(20)5-6-14(12)25-2)19(24)16-7-8-17(27-16)21-18(23)15-4-3-9-26-15/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyYLJQWQLUBAIXAF-UHFFFAOYSA-N
XLogP4.53
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330714
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31309961
N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31305744
N-[5-[(4-chloro-2-fluorophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302478
N-[5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 34754518
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
N-[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 30889943
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[5-[ethyl(thiophen-2-ylmethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33032895
N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330571

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 33164416) is N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is YLJQWQLUBAIXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-22(11-12-10-13(20)5-6-14(12)25-2)19(24)16-7-8-17(27-16)21-18(23)15-4-3-9-26-15/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 404.88 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 33164416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).