N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C23H21F3N4O3S — CID 25473024

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)s1
InChIInChI=1S/C23H21F3N4O3S/c24-23(25,26)15-6-7-18(30-10-12-33-13-11-30)17(14-15)28-21(31)19-8-9-20(34-19)29-22(32)27-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,28,31)(H2,27,29,32)
InChIKeyAFBGZPAIZKFUQR-UHFFFAOYSA-N
MW490.51 g/mol
LogP5.50
Rot. Bonds5

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 25473024) has the molecular formula C23H21F3N4O3S and a molecular weight of 490.51 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID25473024
Molecular FormulaC23H21F3N4O3S
Molecular Weight490.51 g/mol
Exact Mass490.13
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)s1
InChIInChI=1S/C23H21F3N4O3S/c24-23(25,26)15-6-7-18(30-10-12-33-13-11-30)17(14-15)28-21(31)19-8-9-20(34-19)29-22(32)27-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,28,31)(H2,27,29,32)
InChIKeyAFBGZPAIZKFUQR-UHFFFAOYSA-N
XLogP5.50
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.51
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 25473024) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)s1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is AFBGZPAIZKFUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3S/c24-23(25,26)15-6-7-18(30-10-12-33-13-11-30)17(14-15)28-21(31)19-8-9-20(34-19)29-22(32)27-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,28,31)(H2,27,29,32).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 490.51 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 25473024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).