N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

C25H28N2O4S — CID 30276609

IUPACN-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-18-31-23-16-14-22(15-17-23)27(32(2,29)30)19-24(28)26-25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,25H,3,18-19H2,1-2H3,(H,26,28)
InChIKeyVCQXRDKJFIHPGU-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.15
Rot. Bonds10

About N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (PubChem CID 30276609) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
PubChem CID30276609
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-18-31-23-16-14-22(15-17-23)27(32(2,29)30)19-24(28)26-25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,25H,3,18-19H2,1-2H3,(H,26,28)
InChIKeyVCQXRDKJFIHPGU-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylsulfonylphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901779
2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide
CID 30257371
N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30275465
N-[1-(4-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901368
4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30276600
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 94027893
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 46778633
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43900448
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92681417
2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (CID 30276609) is N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The InChIKey is VCQXRDKJFIHPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-3-18-31-23-16-14-22(15-17-23)27(32(2,29)30)19-24(28)26-25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,25H,3,18-19H2,1-2H3,(H,26,28).
What are the key properties of N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 30276609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).