N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C22H20N4O2S — CID 34335922

IUPACN-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H20N4O2S/c27-21(24-26-15-23-18-8-4-5-9-19(18)26)20-14-17(16-6-2-1-3-7-16)22(29-20)25-10-12-28-13-11-25/h1-9,14-15H,10-13H2,(H,24,27)
InChIKeyWRSVFKFORGSJIV-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.99
Rot. Bonds4

About N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 34335922) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID34335922
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H20N4O2S/c27-21(24-26-15-23-18-8-4-5-9-19(18)26)20-14-17(16-6-2-1-3-7-16)22(29-20)25-10-12-28-13-11-25/h1-9,14-15H,10-13H2,(H,24,27)
InChIKeyWRSVFKFORGSJIV-UHFFFAOYSA-N
XLogP3.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
CID 9291462
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 24659557
N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 71883045
methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 24516873
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55811809
N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9453874

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 34335922) is N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is O=C(Nn1cnc2ccccc21)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is WRSVFKFORGSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c27-21(24-26-15-23-18-8-4-5-9-19(18)26)20-14-17(16-6-2-1-3-7-16)22(29-20)25-10-12-28-13-11-25/h1-9,14-15H,10-13H2,(H,24,27).
What are the key properties of N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 34335922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).