5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide

C19H19NO4S2 — CID 46466507

IUPAC5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1
InChIInChI=1S/C19H19NO4S2/c1-2-15-9-10-16(25-15)12-20-19(21)18-11-8-14(24-18)13-26(22,23)17-6-4-3-5-7-17/h3-11H,2,12-13H2,1H3,(H,20,21)
InChIKeyRAHVJTSXBVSVKL-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.81
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide (PubChem CID 46466507) has the molecular formula C19H19NO4S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
PubChem CID46466507
Molecular FormulaC19H19NO4S2
Molecular Weight389.50 g/mol
Exact Mass389.08
IUPAC Name5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1
InChIInChI=1S/C19H19NO4S2/c1-2-15-9-10-16(25-15)12-20-19(21)18-11-8-14(24-18)13-26(22,23)17-6-4-3-5-7-17/h3-11H,2,12-13H2,1H3,(H,20,21)
InChIKeyRAHVJTSXBVSVKL-UHFFFAOYSA-N
XLogP3.81
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide
CID 24509023
5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 17403780
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
CID 55489815
5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 46468496
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 75429137
5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4661810

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide (CID 46466507) is 5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide is CCc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide?
The InChIKey is RAHVJTSXBVSVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S2/c1-2-15-9-10-16(25-15)12-20-19(21)18-11-8-14(24-18)13-26(22,23)17-6-4-3-5-7-17/h3-11H,2,12-13H2,1H3,(H,20,21).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46466507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).