2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide

C20H25N3O4S — CID 21211450

IUPAC2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C(C)C)cc1
InChIInChI=1S/C20H25N3O4S/c1-16(2)21-22-20(24)15-23(14-13-17-7-5-4-6-8-17)28(25,26)19-11-9-18(27-3)10-12-19/h4-12H,13-15H2,1-3H3,(H,22,24)
InChIKeyLBFNHJFJFWWSBD-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.44
Rot. Bonds9

About 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide

2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide (PubChem CID 21211450) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide
PubChem CID21211450
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C(C)C)cc1
InChIInChI=1S/C20H25N3O4S/c1-16(2)21-22-20(24)15-23(14-13-17-7-5-4-6-8-17)28(25,26)19-11-9-18(27-3)10-12-19/h4-12H,13-15H2,1-3H3,(H,22,24)
InChIKeyLBFNHJFJFWWSBD-UHFFFAOYSA-N
XLogP2.44
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide 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-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94847336
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 94847351
N-(2-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360434
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 94847348
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100791189
N-(3-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360277
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 92511644
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544127
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967188
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543745
2-[(4-methoxyphenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 71902529

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide (CID 21211450) is 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide?
The InChIKey is LBFNHJFJFWWSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-16(2)21-22-20(24)15-23(14-13-17-7-5-4-6-8-17)28(25,26)19-11-9-18(27-3)10-12-19/h4-12H,13-15H2,1-3H3,(H,22,24).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide?
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 21211450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).