N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C24H25N3O3S — CID 55753857

IUPACN-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1
InChIInChI=1S/C24H25N3O3S/c1-2-25-22(28)18-8-10-19(11-9-18)26-23(29)21-16-20(17-6-4-3-5-7-17)24(31-21)27-12-14-30-15-13-27/h3-11,16H,2,12-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyYYWIMFXHXNDVSP-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.25
Rot. Bonds6

About N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 55753857) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID55753857
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1
InChIInChI=1S/C24H25N3O3S/c1-2-25-22(28)18-8-10-19(11-9-18)26-23(29)21-16-20(17-6-4-3-5-7-17)24(31-21)27-12-14-30-15-13-27/h3-11,16H,2,12-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyYYWIMFXHXNDVSP-UHFFFAOYSA-N
XLogP4.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 39042400
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 46494653
N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9453874
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
CID 27861002
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26781521
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 166194797
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 55753857) is N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1.
What is the InChIKey of N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is YYWIMFXHXNDVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-2-25-22(28)18-8-10-19(11-9-18)26-23(29)21-16-20(17-6-4-3-5-7-17)24(31-21)27-12-14-30-15-13-27/h3-11,16H,2,12-15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55753857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).