2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide

C20H25N3O3S — CID 3693486

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide
SMILESCC(CCc1ccccc1)=NNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-16-8-7-11-19(14-16)23(27(3,25)26)15-20(24)22-21-17(2)12-13-18-9-5-4-6-10-18/h4-11,14H,12-13,15H2,1-3H3,(H,22,24)
InChIKeySCLFAMIYTPFKHS-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.89
Rot. Bonds8

About 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide

2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide (PubChem CID 3693486) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide
PubChem CID3693486
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide
SMILESCC(CCc1ccccc1)=NNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-16-8-7-11-19(14-16)23(27(3,25)26)15-20(24)22-21-17(2)12-13-18-9-5-4-6-10-18/h4-11,14H,12-13,15H2,1-3H3,(H,22,24)
InChIKeySCLFAMIYTPFKHS-UHFFFAOYSA-N
XLogP2.89
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.89
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-(3,4-dichloro-N-methylsulfonylanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 46919896
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-4-phenylbutan-2-ylideneamino]acetamide
CID 126029961
2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879603
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589076
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589050
N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 43879610
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide
CID 4250371
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51342544
N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 3143366
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(4-phenylbutan-2-ylideneamino)benzamide
CID 3828945
N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 6059713
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide (CID 3693486) is 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide is CC(CCc1ccccc1)=NNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide?
The InChIKey is SCLFAMIYTPFKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-8-7-11-19(14-16)23(27(3,25)26)15-20(24)22-21-17(2)12-13-18-9-5-4-6-10-18/h4-11,14H,12-13,15H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide?
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide is sourced from PubChem (CID 3693486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).