4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

C25H27N3O4S — CID 30276600

IUPAC4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H27N3O4S/c1-27(2)25(30)21-14-16-22(17-15-21)28(33(3,31)32)18-23(29)26-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,24H,18H2,1-3H3,(H,26,29)
InChIKeyCHLFFNBFRSQFJJ-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.06
Rot. Bonds8

About 4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (PubChem CID 30276600) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
PubChem CID30276600
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H27N3O4S/c1-27(2)25(30)21-14-16-22(17-15-21)28(33(3,31)32)18-23(29)26-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,24H,18H2,1-3H3,(H,26,29)
InChIKeyCHLFFNBFRSQFJJ-UHFFFAOYSA-N
XLogP3.06
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30257759
N,N-dimethyl-4-[[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]-methylsulfonylamino]benzamide
CID 43900385
N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30276609
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
N,N-dimethyl-4-[[2-[1-(2-methylphenoxy)propan-2-ylamino]-2-oxoethyl]-methylsulfonylamino]benzamide
CID 43901345
2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43876173
N-[(4-methylphenyl)-phenylmethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900604
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 30257133
4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30263964
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43896049
N-benzhydryl-4-(N-methylsulfonylanilino)butanamide
CID 9173073

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (CID 30276600) is 4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is CHLFFNBFRSQFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-27(2)25(30)21-14-16-22(17-15-21)28(33(3,31)32)18-23(29)26-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,24H,18H2,1-3H3,(H,26,29).
What are the key properties of 4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 465.58 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30276600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).