2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide

C24H25ClN2O3S — CID 100527709

IUPAC2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18-12-14-20(15-13-18)24(19-8-4-3-5-9-19)26-23(28)17-27(31(2,29)30)16-21-10-6-7-11-22(21)25/h3-15,24H,16-17H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyHBBOBDAUCNLLTR-XMMPIXPASA-N
MW457.00 g/mol
LogP4.32
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 100527709) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID100527709
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18-12-14-20(15-13-18)24(19-8-4-3-5-9-19)26-23(28)17-27(31(2,29)30)16-21-10-6-7-11-22(21)25/h3-15,24H,16-17H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyHBBOBDAUCNLLTR-XMMPIXPASA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 100748225
2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 133200073
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 133201701
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide
CID 100625817
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 126070154
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 125054386
N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4683332
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28545519
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 133178675
2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633983
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide (CID 100527709) is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc([C@H](NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c2ccccc2)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is HBBOBDAUCNLLTR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-18-12-14-20(15-13-18)24(19-8-4-3-5-9-19)26-23(28)17-27(31(2,29)30)16-21-10-6-7-11-22(21)25/h3-15,24H,16-17H2,1-2H3,(H,26,28)/t24-/m1/s1.
What are the key properties of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 457.00 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 100527709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).