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

C19H19NO4S3 — CID 72717604

IUPAC4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1C
InChIInChI=1S/C19H19NO4S3/c1-12-8-16(9-13(2)19(12)24-3)27(22,23)20-10-15-4-5-17(26-15)18(21)14-6-7-25-11-14/h4-9,11,20H,10H2,1-3H3
InChIKeyAXEDPPYHMKYODU-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.14
Rot. Bonds7

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

4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 72717604) has the molecular formula C19H19NO4S3 and a molecular weight of 421.57 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID72717604
Molecular FormulaC19H19NO4S3
Molecular Weight421.57 g/mol
Exact Mass421.05
IUPAC Name4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1C
InChIInChI=1S/C19H19NO4S3/c1-12-8-16(9-13(2)19(12)24-3)27(22,23)20-10-15-4-5-17(26-15)18(21)14-6-7-25-11-14/h4-9,11,20H,10H2,1-3H3
InChIKeyAXEDPPYHMKYODU-UHFFFAOYSA-N
XLogP4.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612682
4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612653
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
N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide
CID 90612721
3,5-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612558
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
4-methoxy-3,5-dimethyl-N-[(5-thiophen-3-ylfuran-2-yl)methyl]benzenesulfonamide
CID 121019258
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-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
2,4-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612561

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide (CID 72717604) is 4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is AXEDPPYHMKYODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S3/c1-12-8-16(9-13(2)19(12)24-3)27(22,23)20-10-15-4-5-17(26-15)18(21)14-6-7-25-11-14/h4-9,11,20H,10H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 421.57 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 4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 72717604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).