4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide

C18H17NO3S3 — CID 90612653

IUPAC4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1
InChIInChI=1S/C18H17NO3S3/c1-2-13-3-6-16(7-4-13)25(21,22)19-11-15-5-8-17(24-15)18(20)14-9-10-23-12-14/h3-10,12,19H,2,11H2,1H3
InChIKeyZPDAINIJBQGDNA-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.08
Rot. Bonds7

About 4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide

4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 90612653) has the molecular formula C18H17NO3S3 and a molecular weight of 391.54 g/mol. Its IUPAC name is 4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID90612653
Molecular FormulaC18H17NO3S3
Molecular Weight391.54 g/mol
Exact Mass391.04
IUPAC Name4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1
InChIInChI=1S/C18H17NO3S3/c1-2-13-3-6-16(7-4-13)25(21,22)19-11-15-5-8-17(24-15)18(20)14-9-10-23-12-14/h3-10,12,19H,2,11H2,1H3
InChIKeyZPDAINIJBQGDNA-UHFFFAOYSA-N
XLogP4.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90612695
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide
CID 90612640
4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 72717604
1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
CID 90612662
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612682
N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide
CID 90612721
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581157
N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide
CID 90613047
4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 103721070
4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612294

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide (CID 90612653) is 4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1.
What is the InChIKey of 4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is ZPDAINIJBQGDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S3/c1-2-13-3-6-16(7-4-13)25(21,22)19-11-15-5-8-17(24-15)18(20)14-9-10-23-12-14/h3-10,12,19H,2,11H2,1H3.
What are the key properties of 4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 391.54 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90612653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).