N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide

C24H22Cl2N2O3S — CID 5145745

IUPACN-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCC(c1ccccc1)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C24H22Cl2N2O3S/c1-18(20-10-6-3-7-11-20)28(32(30,31)15-14-19-8-4-2-5-9-19)17-24(29)27-21-12-13-22(25)23(26)16-21/h2-16,18H,17H2,1H3,(H,27,29)
InChIKeyQBCXOTOIANAMJF-UHFFFAOYSA-N
MW489.42 g/mol
LogP6.00
Rot. Bonds8

About N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide

N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide (PubChem CID 5145745) has the molecular formula C24H22Cl2N2O3S and a molecular weight of 489.42 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide
PubChem CID5145745
Molecular FormulaC24H22Cl2N2O3S
Molecular Weight489.42 g/mol
Exact Mass488.07
IUPAC NameN-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCC(c1ccccc1)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C24H22Cl2N2O3S/c1-18(20-10-6-3-7-11-20)28(32(30,31)15-14-19-8-4-2-5-9-19)17-24(29)27-21-12-13-22(25)23(26)16-21/h2-16,18H,17H2,1H3,(H,27,29)
InChIKeyQBCXOTOIANAMJF-UHFFFAOYSA-N
XLogP6.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.42
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348587
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838290
3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119682920
N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9401678
N-(3,4-dichlorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35303305
N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148609
N-(3,4-dichlorophenyl)-2-[diethylsulfamoyl(methyl)amino]acetamide
CID 31070757
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
3-(3,4-dichlorophenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylurea
CID 42702397
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide (CID 5145745) is N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide is CC(c1ccccc1)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide?
The InChIKey is QBCXOTOIANAMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3S/c1-18(20-10-6-3-7-11-20)28(32(30,31)15-14-19-8-4-2-5-9-19)17-24(29)27-21-12-13-22(25)23(26)16-21/h2-16,18H,17H2,1H3,(H,27,29).
What are the key properties of N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide?
N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide has a molecular weight of 489.42 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide is sourced from PubChem (CID 5145745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).