N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

C24H23N3O3S3 — CID 55569595

IUPACN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCc1nc(-c2ccc(CCNC(=O)Cc3ccc(NS(=O)(=O)c4cccs4)cc3)cc2)cs1
InChIInChI=1S/C24H23N3O3S3/c1-17-26-22(16-32-17)20-8-4-18(5-9-20)12-13-25-23(28)15-19-6-10-21(11-7-19)27-33(29,30)24-3-2-14-31-24/h2-11,14,16,27H,12-13,15H2,1H3,(H,25,28)
InChIKeyGYMHNXKOMRONGW-UHFFFAOYSA-N
MW497.67 g/mol
LogP4.88
Rot. Bonds9

About N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 55569595) has the molecular formula C24H23N3O3S3 and a molecular weight of 497.67 g/mol. Its IUPAC name is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID55569595
Molecular FormulaC24H23N3O3S3
Molecular Weight497.67 g/mol
Exact Mass497.09
IUPAC NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCc1nc(-c2ccc(CCNC(=O)Cc3ccc(NS(=O)(=O)c4cccs4)cc3)cc2)cs1
InChIInChI=1S/C24H23N3O3S3/c1-17-26-22(16-32-17)20-8-4-18(5-9-20)12-13-25-23(28)15-19-6-10-21(11-7-19)27-33(29,30)24-3-2-14-31-24/h2-11,14,16,27H,12-13,15H2,1H3,(H,25,28)
InChIKeyGYMHNXKOMRONGW-UHFFFAOYSA-N
XLogP4.88
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.67
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31975893
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
3-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8841474
2-(3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568180
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55955386
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39625765

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (CID 55569595) is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is Cc1nc(-c2ccc(CCNC(=O)Cc3ccc(NS(=O)(=O)c4cccs4)cc3)cc2)cs1.
What is the InChIKey of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is GYMHNXKOMRONGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S3/c1-17-26-22(16-32-17)20-8-4-18(5-9-20)12-13-25-23(28)15-19-6-10-21(11-7-19)27-33(29,30)24-3-2-14-31-24/h2-11,14,16,27H,12-13,15H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 497.67 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 55569595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).