N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide

C17H18N2O4S3 — CID 86951524

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
SMILESCc1cc(CNC(=O)c2sccc2S(=O)(=O)NCc2cccs2)c(C)o1
InChIInChI=1S/C17H18N2O4S3/c1-11-8-13(12(2)23-11)9-18-17(20)16-15(5-7-25-16)26(21,22)19-10-14-4-3-6-24-14/h3-8,19H,9-10H2,1-2H3,(H,18,20)
InChIKeyPXPAUTZFCXBXTQ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.43
Rot. Bonds7

About N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide (PubChem CID 86951524) has the molecular formula C17H18N2O4S3 and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
PubChem CID86951524
Molecular FormulaC17H18N2O4S3
Molecular Weight410.54 g/mol
Exact Mass410.04
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
SMILESCc1cc(CNC(=O)c2sccc2S(=O)(=O)NCc2cccs2)c(C)o1
InChIInChI=1S/C17H18N2O4S3/c1-11-8-13(12(2)23-11)9-18-17(20)16-15(5-7-25-16)26(21,22)19-10-14-4-3-6-24-14/h3-8,19H,9-10H2,1-2H3,(H,18,20)
InChIKeyPXPAUTZFCXBXTQ-UHFFFAOYSA-N
XLogP3.43
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 56765592
3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35000765
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 86900163
N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 86951558
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 119451091
N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6503006
2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119561195
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide (CID 86951524) is N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide is Cc1cc(CNC(=O)c2sccc2S(=O)(=O)NCc2cccs2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is PXPAUTZFCXBXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S3/c1-11-8-13(12(2)23-11)9-18-17(20)16-15(5-7-25-16)26(21,22)19-10-14-4-3-6-24-14/h3-8,19H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 86951524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).