2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C20H20Cl2N4O3S — CID 25357774

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20Cl2N4O3S/c1-25-11-10-23-20(25)19(14-6-8-15(21)9-7-14)24-18(27)13-26(30(2,28)29)17-5-3-4-16(22)12-17/h3-12,19H,13H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyRHOIOWJXSQXYAV-IBGZPJMESA-N
MW467.38 g/mol
LogP3.40
Rot. Bonds7

About 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 25357774) has the molecular formula C20H20Cl2N4O3S and a molecular weight of 467.38 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID25357774
Molecular FormulaC20H20Cl2N4O3S
Molecular Weight467.38 g/mol
Exact Mass466.06
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20Cl2N4O3S/c1-25-11-10-23-20(25)19(14-6-8-15(21)9-7-14)24-18(27)13-26(30(2,28)29)17-5-3-4-16(22)12-17/h3-12,19H,13H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyRHOIOWJXSQXYAV-IBGZPJMESA-N
XLogP3.40
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633983
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38079477
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 25351466
3-(4-chlorophenoxy)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51955813
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895447
2-benzylsulfanyl-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25338698
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
N-[2-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25358696
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 18102280
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 25346145

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 25357774) is 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is RHOIOWJXSQXYAV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20Cl2N4O3S/c1-25-11-10-23-20(25)19(14-6-8-15(21)9-7-14)24-18(27)13-26(30(2,28)29)17-5-3-4-16(22)12-17/h3-12,19H,13H2,1-2H3,(H,24,27)/t19-/m0/s1.
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 467.38 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 25357774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).