5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide

C16H15NO3S4 — CID 121131782

IUPAC5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)s1
InChIInChI=1S/C16H15NO3S4/c1-2-11-6-8-15(23-11)24(19,20)17-10-12-5-7-14(22-12)16(18)13-4-3-9-21-13/h3-9,17H,2,10H2,1H3
InChIKeyOQWNTFAOBMWIOU-UHFFFAOYSA-N
MW397.57 g/mol
LogP4.14
Rot. Bonds7

About 5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide

5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 121131782) has the molecular formula C16H15NO3S4 and a molecular weight of 397.57 g/mol. Its IUPAC name is 5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID121131782
Molecular FormulaC16H15NO3S4
Molecular Weight397.57 g/mol
Exact Mass396.99
IUPAC Name5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)s1
InChIInChI=1S/C16H15NO3S4/c1-2-11-6-8-15(23-11)24(19,20)17-10-12-5-7-14(22-12)16(18)13-4-3-9-21-13/h3-9,17H,2,10H2,1H3
InChIKeyOQWNTFAOBMWIOU-UHFFFAOYSA-N
XLogP4.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 121131813
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121131811
1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
CID 71803384
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide
CID 106270297
3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
3-[[(5-ethylthiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 61454207
5-(2-aminoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 43520972
5-ethyl-N-phenacylthiophene-2-sulfonamide
CID 64993884
2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131670
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide (CID 121131782) is 5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)s1.
What is the InChIKey of 5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is OQWNTFAOBMWIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S4/c1-2-11-6-8-15(23-11)24(19,20)17-10-12-5-7-14(22-12)16(18)13-4-3-9-21-13/h3-9,17H,2,10H2,1H3.
What are the key properties of 5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide?
5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 397.57 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 121131782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).