N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide

C19H23NO3S — CID 87023948

IUPACN-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide
SMILESCc1ccc(C(NC(=O)CS(=O)(=O)C(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)24(22,23)13-18(21)20-19(16-7-5-4-6-8-16)17-11-9-15(3)10-12-17/h4-12,14,19H,13H2,1-3H3,(H,20,21)
InChIKeyNOIQKGLLILVFLB-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.02
Rot. Bonds6

About N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide

N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide (PubChem CID 87023948) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide
PubChem CID87023948
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide
SMILESCc1ccc(C(NC(=O)CS(=O)(=O)C(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)24(22,23)13-18(21)20-19(16-7-5-4-6-8-16)17-11-9-15(3)10-12-17/h4-12,14,19H,13H2,1-3H3,(H,20,21)
InChIKeyNOIQKGLLILVFLB-UHFFFAOYSA-N
XLogP3.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92677777
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 133186861
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
CID 16549377
N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide
CID 60546055
2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 133200073
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide (CID 87023948) is N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide is Cc1ccc(C(NC(=O)CS(=O)(=O)C(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide?
The InChIKey is NOIQKGLLILVFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(2)24(22,23)13-18(21)20-19(16-7-5-4-6-8-16)17-11-9-15(3)10-12-17/h4-12,14,19H,13H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide?
N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide has a molecular weight of 345.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 87023948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).