2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide

C19H24N2O3S — CID 24582092

IUPAC2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
SMILESCC(C)N(CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)21(13-16-8-5-4-6-9-16)14-19(22)20-17-10-7-11-18(12-17)25(3,23)24/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeySJJBRUWBORDUBO-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.94
Rot. Bonds7

About 2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide

2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 24582092) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
PubChem CID24582092
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
SMILESCC(C)N(CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)21(13-16-8-5-4-6-9-16)14-19(22)20-17-10-7-11-18(12-17)25(3,23)24/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeySJJBRUWBORDUBO-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide
CID 33097961
methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 33097599
3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 55416154
2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 42959271
2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9137878

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide (CID 24582092) is 2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide is CC(C)N(CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is SJJBRUWBORDUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15(2)21(13-16-8-5-4-6-9-16)14-19(22)20-17-10-7-11-18(12-17)25(3,23)24/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide?
2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 24582092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).