N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide

C22H25ClN4O3S — CID 38079477

IUPACN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1C
InChIInChI=1S/C22H25ClN4O3S/c1-15-5-10-19(13-16(15)2)31(29,30)27(4)14-20(28)25-21(22-24-11-12-26(22)3)17-6-8-18(23)9-7-17/h5-13,21H,14H2,1-4H3,(H,25,28)/t21-/m1/s1
InChIKeyPJIPNKUBDACBIO-OAQYLSRUSA-N
MW460.99 g/mol
LogP3.22
Rot. Bonds7

About N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 38079477) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
PubChem CID38079477
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1C
InChIInChI=1S/C22H25ClN4O3S/c1-15-5-10-19(13-16(15)2)31(29,30)27(4)14-20(28)25-21(22-24-11-12-26(22)3)17-6-8-18(23)9-7-17/h5-13,21H,14H2,1-4H3,(H,25,28)/t21-/m1/s1
InChIKeyPJIPNKUBDACBIO-OAQYLSRUSA-N
XLogP3.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetamide
CID 17477970
N-[2-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 25358256
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25357774
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 18102280
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43046126
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25405660
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 25357824
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 25346145
1-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 24541093
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 42924236

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide (CID 38079477) is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1C.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is PJIPNKUBDACBIO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-15-5-10-19(13-16(15)2)31(29,30)27(4)14-20(28)25-21(22-24-11-12-26(22)3)17-6-8-18(23)9-7-17/h5-13,21H,14H2,1-4H3,(H,25,28)/t21-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 460.99 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 38079477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).