3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C17H16N4O4S3 — CID 55455571

IUPAC3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H16N4O4S3/c22-15(18-17-20-19-16(27-17)12-4-2-1-3-5-12)14-13(6-11-26-14)28(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,18,20,22)
InChIKeyDDFJVTBHXWSRAA-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.54
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 55455571) has the molecular formula C17H16N4O4S3 and a molecular weight of 436.54 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID55455571
Molecular FormulaC17H16N4O4S3
Molecular Weight436.54 g/mol
Exact Mass436.03
IUPAC Name3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H16N4O4S3/c22-15(18-17-20-19-16(27-17)12-4-2-1-3-5-12)14-13(6-11-26-14)28(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,18,20,22)
InChIKeyDDFJVTBHXWSRAA-UHFFFAOYSA-N
XLogP2.54
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 55921727
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
4-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92546648
(3-morpholin-4-ylsulfonylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38298487
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55581961
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581642
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076837

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 55455571) is 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is DDFJVTBHXWSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S3/c22-15(18-17-20-19-16(27-17)12-4-2-1-3-5-12)14-13(6-11-26-14)28(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,18,20,22).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55455571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).