N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C22H22N2O2S — CID 6624733

IUPACN-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H22N2O2S/c25-21(23-16-17-7-3-1-4-8-17)20-15-19(18-9-5-2-6-10-18)22(27-20)24-11-13-26-14-12-24/h1-10,15H,11-14,16H2,(H,23,25)
InChIKeyNQHHWSPBOHXOCY-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.18
Rot. Bonds5

About N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 6624733) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID6624733
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H22N2O2S/c25-21(23-16-17-7-3-1-4-8-17)20-15-19(18-9-5-2-6-10-18)22(27-20)24-11-13-26-14-12-24/h1-10,15H,11-14,16H2,(H,23,25)
InChIKeyNQHHWSPBOHXOCY-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 24985915
N-(2-hydroxyethyl)-N-methyl-2-[(phenylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1111969
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
N-(3-Benzoyl-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-acetamide
CID 1358927
N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 7446712
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855297
CID 122196547
CID 122196547
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
4-(4''-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 44389246
(S)-1-(5-(4-(morpholine-4-carbonyl)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 44560670
1-(3-((Morpholin-2-ylmethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560938

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 6624733) is N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is O=C(NCc1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is NQHHWSPBOHXOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c25-21(23-16-17-7-3-1-4-8-17)20-15-19(18-9-5-2-6-10-18)22(27-20)24-11-13-26-14-12-24/h1-10,15H,11-14,16H2,(H,23,25).
What are the key properties of N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 6624733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).