2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide

C24H24N2O3S — CID 9034683

IUPAC2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-26(2)23(27)17-30-22-11-7-6-10-21(22)24(28)25-19-12-14-20(15-13-19)29-16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,28)
InChIKeyKARTUSWSFAKCLU-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.70
Rot. Bonds8

About 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 9034683) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID9034683
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-26(2)23(27)17-30-22-11-7-6-10-21(22)24(28)25-19-12-14-20(15-13-19)29-16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,28)
InChIKeyKARTUSWSFAKCLU-UHFFFAOYSA-N
XLogP4.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 17469397
2-[2-[[[2-(4-ethylphenoxy)acetyl]amino]carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 9324278
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
N-(4-ethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8745389
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 32945841
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide
CID 86963602
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide (CID 9034683) is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide is CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is KARTUSWSFAKCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-26(2)23(27)17-30-22-11-7-6-10-21(22)24(28)25-19-12-14-20(15-13-19)29-16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,28).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide?
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 420.53 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 9034683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).