2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide

C24H25N3O2S — CID 9206617

IUPAC2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N3O2S/c1-26(2)23(28)18-30-22-16-10-9-15-21(22)24(29)25-27(20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-16H,17-18H2,1-2H3,(H,25,29)
InChIKeyFDOXXVJIWZWLPO-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.22
Rot. Bonds8

About 2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide

2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide (PubChem CID 9206617) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
PubChem CID9206617
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N3O2S/c1-26(2)23(28)18-30-22-16-10-9-15-21(22)24(29)25-27(20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-16H,17-18H2,1-2H3,(H,25,29)
InChIKeyFDOXXVJIWZWLPO-UHFFFAOYSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide
CID 9034683
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9074011
N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide
CID 55342142
N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 46449832
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 31362954
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 2361989
N'-benzyl-N'-phenylfuran-2-carbohydrazide
CID 18884695
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066604
N'-benzyl-3-methyl-N'-phenylbutanehydrazide
CID 39477039
2-[2-[[[2-(4-ethylphenoxy)acetyl]amino]carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 9324278

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide (CID 9206617) is 2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1ccccc1C(=O)NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide?
The InChIKey is FDOXXVJIWZWLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-26(2)23(28)18-30-22-16-10-9-15-21(22)24(29)25-27(20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-16H,17-18H2,1-2H3,(H,25,29).
What are the key properties of 2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide?
2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide has a molecular weight of 419.55 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 9206617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).