2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide

C14H21N3O3S — CID 126034252

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide
SMILESCCc1ccc(N(CC(=O)NN=C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H21N3O3S/c1-5-12-6-8-13(9-7-12)17(21(4,19)20)10-14(18)16-15-11(2)3/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKeySJKILDPGLJDRCU-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.53
Rot. Bonds6

About 2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide

2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide (PubChem CID 126034252) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide
PubChem CID126034252
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide
SMILESCCc1ccc(N(CC(=O)NN=C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H21N3O3S/c1-5-12-6-8-13(9-7-12)17(21(4,19)20)10-14(18)16-15-11(2)3/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKeySJKILDPGLJDRCU-UHFFFAOYSA-N
XLogP1.53
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154163
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 126034906
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1318473
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-4-phenylbutan-2-ylideneamino]acetamide
CID 126029961
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 126032323
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide (CID 126034252) is 2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide is CCc1ccc(N(CC(=O)NN=C(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
The InChIKey is SJKILDPGLJDRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-5-12-6-8-13(9-7-12)17(21(4,19)20)10-14(18)16-15-11(2)3/h6-9H,5,10H2,1-4H3,(H,16,18).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 126034252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).