N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C14H17N3O4S3 — CID 2531141

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)s1
InChIInChI=1S/C14H17N3O4S3/c1-10-9-15-14(22-10)16-12(18)8-11-2-3-13(23-11)24(19,20)17-4-6-21-7-5-17/h2-3,9H,4-8H2,1H3,(H,15,16,18)
InChIKeyDAJYRJNNOCBHSE-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.72
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 2531141) has the molecular formula C14H17N3O4S3 and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID2531141
Molecular FormulaC14H17N3O4S3
Molecular Weight387.51 g/mol
Exact Mass387.04
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)s1
InChIInChI=1S/C14H17N3O4S3/c1-10-9-15-14(22-10)16-12(18)8-11-2-3-13(23-11)24(19,20)17-4-6-21-7-5-17/h2-3,9H,4-8H2,1H3,(H,15,16,18)
InChIKeyDAJYRJNNOCBHSE-UHFFFAOYSA-N
XLogP1.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 2531141) is N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is Cc1cnc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is DAJYRJNNOCBHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S3/c1-10-9-15-14(22-10)16-12(18)8-11-2-3-13(23-11)24(19,20)17-4-6-21-7-5-17/h2-3,9H,4-8H2,1H3,(H,15,16,18).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 2531141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).