2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

C20H21ClN4O3S — CID 38001939

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C20H21ClN4O3S/c1-15-3-6-18(11-19(15)21)25(29(2,27)28)13-20(26)23-12-16-4-7-17(8-5-16)24-10-9-22-14-24/h3-11,14H,12-13H2,1-2H3,(H,23,26)
InChIKeyIZBCNTFKIDTGTR-UHFFFAOYSA-N
MW432.93 g/mol
LogP2.92
Rot. Bonds7

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 38001939) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID38001939
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C20H21ClN4O3S/c1-15-3-6-18(11-19(15)21)25(29(2,27)28)13-20(26)23-12-16-4-7-17(8-5-16)24-10-9-22-14-24/h3-11,14H,12-13H2,1-2H3,(H,23,26)
InChIKeyIZBCNTFKIDTGTR-UHFFFAOYSA-N
XLogP2.92
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 92678156
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 28636998
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30274087
N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 92681992
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30303835
N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 46772606
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99957374
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144201
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30304666
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide
CID 99949271
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 99957828
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99940421

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (CID 38001939) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is Cc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is IZBCNTFKIDTGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-15-3-6-18(11-19(15)21)25(29(2,27)28)13-20(26)23-12-16-4-7-17(8-5-16)24-10-9-22-14-24/h3-11,14H,12-13H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 432.93 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 38001939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).