3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide

C22H23N3O6S2 — CID 55342756

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CCNS(=O)(=O)c3ccc(C(C)=O)cc3)n2)c1
InChIInChI=1S/C22H23N3O6S2/c1-14(26)15-4-7-17(8-5-15)33(28,29)23-11-10-21(27)25-22-24-19(13-32-22)18-12-16(30-2)6-9-20(18)31-3/h4-9,12-13,23H,10-11H2,1-3H3,(H,24,25,27)
InChIKeyRGAWIYPTLRCLQT-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.34
Rot. Bonds10

About 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 55342756) has the molecular formula C22H23N3O6S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID55342756
Molecular FormulaC22H23N3O6S2
Molecular Weight489.58 g/mol
Exact Mass489.10
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CCNS(=O)(=O)c3ccc(C(C)=O)cc3)n2)c1
InChIInChI=1S/C22H23N3O6S2/c1-14(26)15-4-7-17(8-5-15)33(28,29)23-11-10-21(27)25-22-24-19(13-32-22)18-12-16(30-2)6-9-20(18)31-3/h4-9,12-13,23H,10-11H2,1-3H3,(H,24,25,27)
InChIKeyRGAWIYPTLRCLQT-UHFFFAOYSA-N
XLogP3.34
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2594353
N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589382
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide
CID 16804295
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55363538
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555291
3-cyclopentyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8873226
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide
CID 38961150
3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 46667735
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
CID 8873260

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 55342756) is 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(OC)c(-c2csc(NC(=O)CCNS(=O)(=O)c3ccc(C(C)=O)cc3)n2)c1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is RGAWIYPTLRCLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S2/c1-14(26)15-4-7-17(8-5-15)33(28,29)23-11-10-21(27)25-22-24-19(13-32-22)18-12-16(30-2)6-9-20(18)31-3/h4-9,12-13,23H,10-11H2,1-3H3,(H,24,25,27).
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 489.58 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55342756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).