N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide

C23H19ClN2O3S — CID 55756422

IUPACN-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
SMILESN#Cc1ccc(CS(=O)(=O)CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN2O3S/c24-21-12-10-20(11-13-21)23(19-4-2-1-3-5-19)26-22(27)16-30(28,29)15-18-8-6-17(14-25)7-9-18/h1-13,23H,15-16H2,(H,26,27)
InChIKeyFBFJLCKDMQDFRD-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.03
Rot. Bonds7

About N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide

N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide (PubChem CID 55756422) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
PubChem CID55756422
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
SMILESN#Cc1ccc(CS(=O)(=O)CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN2O3S/c24-21-12-10-20(11-13-21)23(19-4-2-1-3-5-19)26-22(27)16-30(28,29)15-18-8-6-17(14-25)7-9-18/h1-13,23H,15-16H2,(H,26,27)
InChIKeyFBFJLCKDMQDFRD-UHFFFAOYSA-N
XLogP4.03
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 112827216
2-[(4-cyanophenyl)methylsulfonyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 51956120
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3-cyanophenoxy)acetamide
CID 8852910
2-[(4-cyanophenyl)methylsulfonyl]-N-(2,2,2-trifluoroethoxy)acetamide
CID 166224595
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995
2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21156472
2-(4-chlorophenyl)-1-(4-cyanophenyl)ethanesulfonic acid
CID 129050421
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
CID 17225149
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4852188
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225191
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 167791280

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide (CID 55756422) is N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide is N#Cc1ccc(CS(=O)(=O)CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The InChIKey is FBFJLCKDMQDFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c24-21-12-10-20(11-13-21)23(19-4-2-1-3-5-19)26-22(27)16-30(28,29)15-18-8-6-17(14-25)7-9-18/h1-13,23H,15-16H2,(H,26,27).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide has a molecular weight of 438.94 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 55756422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).