N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide

C13H15N3O4S3 — CID 6504167

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)cs2)no1
InChIInChI=1S/C13H15N3O4S3/c1-9-6-12(15-20-9)14-13(17)11-7-10(8-22-11)23(18,19)16-2-4-21-5-3-16/h6-8H,2-5H2,1H3,(H,14,15,17)
InChIKeyYYYXDIKNDPRHDB-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.03
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 6504167) has the molecular formula C13H15N3O4S3 and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID6504167
Molecular FormulaC13H15N3O4S3
Molecular Weight373.48 g/mol
Exact Mass373.02
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)cs2)no1
InChIInChI=1S/C13H15N3O4S3/c1-9-6-12(15-20-9)14-13(17)11-7-10(8-22-11)23(18,19)16-2-4-21-5-3-16/h6-8H,2-5H2,1H3,(H,14,15,17)
InChIKeyYYYXDIKNDPRHDB-UHFFFAOYSA-N
XLogP2.03
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 27262017
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 27261158
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 110865517
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503197
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503288
N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxamide
CID 27261690
4-[(4-methoxyphenyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6504134
3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid
CID 6504149
4-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 146179498
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
CID 6503383
N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide
CID 6503614

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide (CID 6504167) is N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)cs2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is YYYXDIKNDPRHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S3/c1-9-6-12(15-20-9)14-13(17)11-7-10(8-22-11)23(18,19)16-2-4-21-5-3-16/h6-8H,2-5H2,1H3,(H,14,15,17).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6504167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).