N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide

C19H23ClN2O3S — CID 113070154

IUPACN-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccc(N(CCNC(=O)Cc2ccccc2C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C19H23ClN2O3S/c1-14-6-4-5-7-16(14)12-19(23)21-10-11-22(26(3,24)25)17-9-8-15(2)18(20)13-17/h4-9,13H,10-12H2,1-3H3,(H,21,23)
InChIKeyCQIWYUZXPWUEAH-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide

N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 113070154) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
PubChem CID113070154
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccc(N(CCNC(=O)Cc2ccccc2C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C19H23ClN2O3S/c1-14-6-4-5-7-16(14)12-19(23)21-10-11-22(26(3,24)25)17-9-8-15(2)18(20)13-17/h4-9,13H,10-12H2,1-3H3,(H,21,23)
InChIKeyCQIWYUZXPWUEAH-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]acetamide
CID 113069429
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113069838
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132679012
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132944669
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
N-tert-butyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132727870
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113144169
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144201
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 100658604
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide (CID 113070154) is N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide is Cc1ccc(N(CCNC(=O)Cc2ccccc2C)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is CQIWYUZXPWUEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-6-4-5-7-16(14)12-19(23)21-10-11-22(26(3,24)25)17-9-8-15(2)18(20)13-17/h4-9,13H,10-12H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide?
N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113070154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).