5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

C16H15N3O4S2 — CID 17403780

IUPAC5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1
InChIInChI=1S/C16H15N3O4S2/c1-2-14-18-19-16(24-14)17-15(20)13-9-8-11(23-13)10-25(21,22)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,17,19,20)
InChIKeyKHZZEGCSVCCDLW-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.92
Rot. Bonds6

About 5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 17403780) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID17403780
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1
InChIInChI=1S/C16H15N3O4S2/c1-2-14-18-19-16(24-14)17-15(20)13-9-8-11(23-13)10-25(21,22)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,17,19,20)
InChIKeyKHZZEGCSVCCDLW-UHFFFAOYSA-N
XLogP2.92
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 2973100
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55414723
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)furan-2-carboxamide
CID 71690111
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 17319604
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
1-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 16592029
5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 26696587

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 17403780) is 5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is CCc1nnc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is KHZZEGCSVCCDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-2-14-18-19-16(24-14)17-15(20)13-9-8-11(23-13)10-25(21,22)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,17,19,20).
What are the key properties of 5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 17403780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).