3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

C18H19N3O5S3 — CID 55363538

IUPAC3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(-c3cccs3)cs2)cc1OC
InChIInChI=1S/C18H19N3O5S3/c1-25-14-6-5-12(10-15(14)26-2)29(23,24)19-8-7-17(22)21-18-20-13(11-28-18)16-4-3-9-27-16/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,21,22)
InChIKeyWZDDBOLCQAZAQK-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.20
Rot. Bonds9

About 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 55363538) has the molecular formula C18H19N3O5S3 and a molecular weight of 453.57 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID55363538
Molecular FormulaC18H19N3O5S3
Molecular Weight453.57 g/mol
Exact Mass453.05
IUPAC Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(-c3cccs3)cs2)cc1OC
InChIInChI=1S/C18H19N3O5S3/c1-25-14-6-5-12(10-15(14)26-2)29(23,24)19-8-7-17(22)21-18-20-13(11-28-18)16-4-3-9-27-16/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,21,22)
InChIKeyWZDDBOLCQAZAQK-UHFFFAOYSA-N
XLogP3.20
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 46667735
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2594353
2-(2-methoxy-4-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29297483
3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55342756
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55368552
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 55362076
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55381245
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328873
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 4965787

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (CID 55363538) is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(-c3cccs3)cs2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WZDDBOLCQAZAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S3/c1-25-14-6-5-12(10-15(14)26-2)29(23,24)19-8-7-17(22)21-18-20-13(11-28-18)16-4-3-9-27-16/h3-6,9-11,19H,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 453.57 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 55363538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).