N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide

C23H20N4O4S2 — CID 30853480

IUPACN-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OCc4cccnc4)cc3)n2)cc1
InChIInChI=1S/C23H20N4O4S2/c1-33(29,30)27-19-8-4-17(5-9-19)21-15-32-23(25-21)26-22(28)18-6-10-20(11-7-18)31-14-16-3-2-12-24-13-16/h2-13,15,27H,14H2,1H3,(H,25,26,28)
InChIKeyBTCPWEDXXVKRJJ-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.41
Rot. Bonds8

About N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 30853480) has the molecular formula C23H20N4O4S2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID30853480
Molecular FormulaC23H20N4O4S2
Molecular Weight480.57 g/mol
Exact Mass480.09
IUPAC NameN-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OCc4cccnc4)cc3)n2)cc1
InChIInChI=1S/C23H20N4O4S2/c1-33(29,30)27-19-8-4-17(5-9-19)21-15-32-23(25-21)26-22(28)18-6-10-20(11-7-18)31-14-16-3-2-12-24-13-16/h2-13,15,27H,14H2,1H3,(H,25,26,28)
InChIKeyBTCPWEDXXVKRJJ-UHFFFAOYSA-N
XLogP4.41
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethoxyphenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 24568286
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 51112118
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-phenylmethoxybenzamide
CID 17113568
4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 126187920
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide (CID 30853480) is N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide is CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OCc4cccnc4)cc3)n2)cc1.
What is the InChIKey of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is BTCPWEDXXVKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S2/c1-33(29,30)27-19-8-4-17(5-9-19)21-15-32-23(25-21)26-22(28)18-6-10-20(11-7-18)31-14-16-3-2-12-24-13-16/h2-13,15,27H,14H2,1H3,(H,25,26,28).
What are the key properties of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide?
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 480.57 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 30853480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).