N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

C21H19N5O4S2 — CID 55581961

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H19N5O4S2/c27-21(20-18(7-12-31-20)32(28,29)25-8-10-30-11-9-25)24-15-5-6-19(22-13-15)26-14-23-16-3-1-2-4-17(16)26/h1-7,12-14H,8-11H2,(H,24,27)
InChIKeyHTPNCURMLFXRBB-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.76
Rot. Bonds5

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 55581961) has the molecular formula C21H19N5O4S2 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID55581961
Molecular FormulaC21H19N5O4S2
Molecular Weight469.55 g/mol
Exact Mass469.09
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H19N5O4S2/c27-21(20-18(7-12-31-20)32(28,29)25-8-10-30-11-9-25)24-15-5-6-19(22-13-15)26-14-23-16-3-1-2-4-17(16)26/h1-7,12-14H,8-11H2,(H,24,27)
InChIKeyHTPNCURMLFXRBB-UHFFFAOYSA-N
XLogP2.76
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 55455571
N-(6-methoxy-3-pyridinyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665715
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55749896
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 134004831
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076837
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 30840943
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride
CID 119850830

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 55581961) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is HTPNCURMLFXRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S2/c27-21(20-18(7-12-31-20)32(28,29)25-8-10-30-11-9-25)24-15-5-6-19(22-13-15)26-14-23-16-3-1-2-4-17(16)26/h1-7,12-14H,8-11H2,(H,24,27).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 55581961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).