N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide

C19H24N2O3S — CID 112992432

IUPACN-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)17-9-11-18(12-10-17)25(23,24)20-13-19(22)21(3)14-16-7-5-4-6-8-16/h4-12,15,20H,13-14H2,1-3H3
InChIKeyPGDKDAGMVKKXNP-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.75
Rot. Bonds7

About N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide

N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide (PubChem CID 112992432) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
PubChem CID112992432
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)17-9-11-18(12-10-17)25(23,24)20-13-19(22)21(3)14-16-7-5-4-6-8-16/h4-12,15,20H,13-14H2,1-3H3
InChIKeyPGDKDAGMVKKXNP-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760070
N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760071
N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6620438
N-benzyl-2-[(2-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300498
2-[[2-(benzenesulfonamido)acetyl]-methylamino]propanoic acid
CID 62627987
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide
CID 42961408
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192886
N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide
CID 112992445

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide (CID 112992432) is N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide is CC(C)c1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide?
The InChIKey is PGDKDAGMVKKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15(2)17-9-11-18(12-10-17)25(23,24)20-13-19(22)21(3)14-16-7-5-4-6-8-16/h4-12,15,20H,13-14H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide?
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112992432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).