2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C17H20ClN3O3S — CID 113154839

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C17H20ClN3O3S/c1-20(12-9-14-7-10-19-11-8-14)17(22)13-21(25(2,23)24)16-5-3-15(18)4-6-16/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyMKFQVNOINRQCFB-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.20
Rot. Bonds7

About 2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 113154839) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID113154839
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C17H20ClN3O3S/c1-20(12-9-14-7-10-19-11-8-14)17(22)13-21(25(2,23)24)16-5-3-15(18)4-6-16/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyMKFQVNOINRQCFB-UHFFFAOYSA-N
XLogP2.20
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113155558
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154877
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154369
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113146975
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60892663
3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113136290
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 113154839) is 2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is MKFQVNOINRQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-20(12-9-14-7-10-19-11-8-14)17(22)13-21(25(2,23)24)16-5-3-15(18)4-6-16/h3-8,10-11H,9,12-13H2,1-2H3.
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 381.89 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 113154839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).