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

C18H21ClN2O3S — CID 113069838

IUPACN-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-14-7-3-4-8-15(14)13-18(22)20-11-12-21(25(2,23)24)17-10-6-5-9-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyYLMLZQOKTJLDGG-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.77
Rot. Bonds7

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

N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 113069838) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
PubChem CID113069838
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCN(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-14-7-3-4-8-15(14)13-18(22)20-11-12-21(25(2,23)24)17-10-6-5-9-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyYLMLZQOKTJLDGG-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113070154
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
2-(2-methylphenyl)-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]acetamide
CID 113069429
2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068562
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 53287737
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113144052
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069805
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113069981

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide (CID 113069838) is N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCCN(c1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is YLMLZQOKTJLDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14-7-3-4-8-15(14)13-18(22)20-11-12-21(25(2,23)24)17-10-6-5-9-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide?
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 380.90 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113069838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).