N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide

C26H28FN3O3S — CID 142786193

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide
SMILESCC(Cc1ccccc1F)NC(=O)c1cc(NC(=O)c2ccc(CN3CCOCC3)cc2)cs1
InChIInChI=1S/C26H28FN3O3S/c1-18(14-21-4-2-3-5-23(21)27)28-26(32)24-15-22(17-34-24)29-25(31)20-8-6-19(7-9-20)16-30-10-12-33-13-11-30/h2-9,15,17-18H,10-14,16H2,1H3,(H,28,32)(H,29,31)
InChIKeyIPTWMYNBBGBBOE-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.33
Rot. Bonds8

About N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide

N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide (PubChem CID 142786193) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide
PubChem CID142786193
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide
SMILESCC(Cc1ccccc1F)NC(=O)c1cc(NC(=O)c2ccc(CN3CCOCC3)cc2)cs1
InChIInChI=1S/C26H28FN3O3S/c1-18(14-21-4-2-3-5-23(21)27)28-26(32)24-15-22(17-34-24)29-25(31)20-8-6-19(7-9-20)16-30-10-12-33-13-11-30/h2-9,15,17-18H,10-14,16H2,1H3,(H,28,32)(H,29,31)
InChIKeyIPTWMYNBBGBBOE-UHFFFAOYSA-N
XLogP4.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide
CID 3259740
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 9045335
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768866
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 78804636

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide (CID 142786193) is N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide is CC(Cc1ccccc1F)NC(=O)c1cc(NC(=O)c2ccc(CN3CCOCC3)cc2)cs1.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide?
The InChIKey is IPTWMYNBBGBBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c1-18(14-21-4-2-3-5-23(21)27)28-26(32)24-15-22(17-34-24)29-25(31)20-8-6-19(7-9-20)16-30-10-12-33-13-11-30/h2-9,15,17-18H,10-14,16H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide?
N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 142786193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).