N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C24H25N3O4S — CID 26781521

IUPACN-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H25N3O4S/c1-16(28)25-18-8-9-21(30-2)20(14-18)26-23(29)22-15-19(17-6-4-3-5-7-17)24(32-22)27-10-12-31-13-11-27/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyJRVVWACAIQRINV-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.47
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 26781521) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID26781521
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H25N3O4S/c1-16(28)25-18-8-9-21(30-2)20(14-18)26-23(29)22-15-19(17-6-4-3-5-7-17)24(32-22)27-10-12-31-13-11-27/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyJRVVWACAIQRINV-UHFFFAOYSA-N
XLogP4.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9453874
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-(2-methyl-3-nitrophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26737790
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477
5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
CID 9291462
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
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 35486595
N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide
CID 45354909
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 39042400

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 26781521) is N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is JRVVWACAIQRINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-16(28)25-18-8-9-21(30-2)20(14-18)26-23(29)22-15-19(17-6-4-3-5-7-17)24(32-22)27-10-12-31-13-11-27/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 26781521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).