2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C21H25N3O5S — CID 43018790

IUPAC2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O5S/c1-15(22-19-5-3-4-17(14-19)16(2)25)21(26)23-18-6-8-20(9-7-18)30(27,28)24-10-12-29-13-11-24/h3-9,14-15,22H,10-13H2,1-2H3,(H,23,26)
InChIKeyLDQHEUMBLFVHES-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.35
Rot. Bonds7

About 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 43018790) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID43018790
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O5S/c1-15(22-19-5-3-4-17(14-19)16(2)25)21(26)23-18-6-8-20(9-7-18)30(27,28)24-10-12-29-13-11-24/h3-9,14-15,22H,10-13H2,1-2H3,(H,23,26)
InChIKeyLDQHEUMBLFVHES-UHFFFAOYSA-N
XLogP2.35
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide 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

(2R)-2-(3-ethynylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 37310140
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
(2S)-2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41070554
N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 4883284
2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17446764
N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 75980251
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
4-[2-(3-acetylanilino)propanoylamino]benzamide
CID 46667199
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 43018790) is 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is CC(=O)c1cccc(NC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is LDQHEUMBLFVHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15(22-19-5-3-4-17(14-19)16(2)25)21(26)23-18-6-8-20(9-7-18)30(27,28)24-10-12-29-13-11-24/h3-9,14-15,22H,10-13H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 431.51 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 43018790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).