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

C18H17NO4S3 — CID 90612682

IUPAC4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)c1
InChIInChI=1S/C18H17NO4S3/c1-12-9-14(23-2)3-6-17(12)26(21,22)19-10-15-4-5-16(25-15)18(20)13-7-8-24-11-13/h3-9,11,19H,10H2,1-2H3
InChIKeyMHQLWCDGXLMLTJ-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.84
Rot. Bonds7

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

4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 90612682) has the molecular formula C18H17NO4S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID90612682
Molecular FormulaC18H17NO4S3
Molecular Weight407.54 g/mol
Exact Mass407.03
IUPAC Name4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)c1
InChIInChI=1S/C18H17NO4S3/c1-12-9-14(23-2)3-6-17(12)26(21,22)19-10-15-4-5-16(25-15)18(20)13-7-8-24-11-13/h3-9,11,19H,10H2,1-2H3
InChIKeyMHQLWCDGXLMLTJ-UHFFFAOYSA-N
XLogP3.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 72717604
N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide
CID 90612721
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
2,4-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612561
3,5-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612558
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide
CID 90612640
4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612653
N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612790
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90612695
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47319452

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide (CID 90612682) is 4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is MHQLWCDGXLMLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S3/c1-12-9-14(23-2)3-6-17(12)26(21,22)19-10-15-4-5-16(25-15)18(20)13-7-8-24-11-13/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90612682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).