N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide

C26H21N3O3S4 — CID 21169675

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C26H21N3O3S4/c1-17(35-22-12-10-21(11-13-22)29-36(31,32)24-7-4-14-33-24)25(30)28-26-27-23(16-34-26)20-9-8-18-5-2-3-6-19(18)15-20/h2-17,29H,1H3,(H,27,28,30)
InChIKeyRFKLLDKXGQWXGD-UHFFFAOYSA-N
MW551.74 g/mol
LogP6.94
Rot. Bonds8

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide (PubChem CID 21169675) has the molecular formula C26H21N3O3S4 and a molecular weight of 551.74 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
PubChem CID21169675
Molecular FormulaC26H21N3O3S4
Molecular Weight551.74 g/mol
Exact Mass551.05
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C26H21N3O3S4/c1-17(35-22-12-10-21(11-13-22)29-36(31,32)24-7-4-14-33-24)25(30)28-26-27-23(16-34-26)20-9-8-18-5-2-3-6-19(18)15-20/h2-17,29H,1H3,(H,27,28,30)
InChIKeyRFKLLDKXGQWXGD-UHFFFAOYSA-N
XLogP6.94
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.74
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 21170325
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 21168960
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 21170701
N-[4-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19712233
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 21168959
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 24568436
N-(4-phenyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23098780
N-[4-[1-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19712234
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 21169815
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19315963
N-(3-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 22779737
N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 22782899

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide (CID 21169675) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide is CC(Sc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
The InChIKey is RFKLLDKXGQWXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S4/c1-17(35-22-12-10-21(11-13-22)29-36(31,32)24-7-4-14-33-24)25(30)28-26-27-23(16-34-26)20-9-8-18-5-2-3-6-19(18)15-20/h2-17,29H,1H3,(H,27,28,30).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide has a molecular weight of 551.74 g/mol, XLogP of 6.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide is sourced from PubChem (CID 21169675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).