N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide

C17H17Cl3N2O3S — CID 29116891

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl3N2O3S/c1-10(13-5-3-11(18)7-15(13)20)21-9-17(23)22-16-8-12(26(2,24)25)4-6-14(16)19/h3-8,10,21H,9H2,1-2H3,(H,22,23)/t10-/m0/s1
InChIKeyMSGQFPIDONKFRF-JTQLQIEISA-N
MW435.76 g/mol
LogP4.34
Rot. Bonds6

About N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide

N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide (PubChem CID 29116891) has the molecular formula C17H17Cl3N2O3S and a molecular weight of 435.76 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
PubChem CID29116891
Molecular FormulaC17H17Cl3N2O3S
Molecular Weight435.76 g/mol
Exact Mass434.00
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl3N2O3S/c1-10(13-5-3-11(18)7-15(13)20)21-9-17(23)22-16-8-12(26(2,24)25)4-6-14(16)19/h3-8,10,21H,9H2,1-2H3,(H,22,23)/t10-/m0/s1
InChIKeyMSGQFPIDONKFRF-JTQLQIEISA-N
XLogP4.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.76
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9306788
N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide
CID 97016636
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254240
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 9253790
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253982
N-(2-acetylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254442
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide
CID 9254284
N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254310
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9335626
2-[1-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 84964111
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9254112

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide (CID 29116891) is N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The InChIKey is MSGQFPIDONKFRF-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17Cl3N2O3S/c1-10(13-5-3-11(18)7-15(13)20)21-9-17(23)22-16-8-12(26(2,24)25)4-6-14(16)19/h3-8,10,21H,9H2,1-2H3,(H,22,23)/t10-/m0/s1.
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide has a molecular weight of 435.76 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 29116891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).