N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

C16H18N2O4S3 — CID 166223269

IUPACN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCOCCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2csc(C)n2)s1
InChIInChI=1S/C16H18N2O4S3/c1-12-17-14(11-23-12)15-5-6-16(24-15)25(19,20)18(7-9-21-2)10-13-4-3-8-22-13/h3-6,8,11H,7,9-10H2,1-2H3
InChIKeyCMZRNVZALINUKT-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.61
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 166223269) has the molecular formula C16H18N2O4S3 and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
PubChem CID166223269
Molecular FormulaC16H18N2O4S3
Molecular Weight398.53 g/mol
Exact Mass398.04
IUPAC NameN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCOCCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2csc(C)n2)s1
InChIInChI=1S/C16H18N2O4S3/c1-12-17-14(11-23-12)15-5-6-16(24-15)25(19,20)18(7-9-21-2)10-13-4-3-8-22-13/h3-6,8,11H,7,9-10H2,1-2H3
InChIKeyCMZRNVZALINUKT-UHFFFAOYSA-N
XLogP3.61
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 119982674
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylphenyl)methanesulfonamide
CID 56792262
N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939801
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24567615
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 60510056
N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936014
N-ethyl-4-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 126726064
N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride
CID 119965838
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949337
1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 4254737
4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 3552331
2-[5-[ethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61384509

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (CID 166223269) is N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is COCCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2csc(C)n2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is CMZRNVZALINUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S3/c1-12-17-14(11-23-12)15-5-6-16(24-15)25(19,20)18(7-9-21-2)10-13-4-3-8-22-13/h3-6,8,11H,7,9-10H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 166223269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).