2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide

C13H21N3O3S — CID 62020724

IUPAC2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H21N3O3S/c1-10(2)15-13(17)8-16(3)20(18,19)9-11-6-4-5-7-12(11)14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyNDMQJVCIHARBPW-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.56
Rot. Bonds6

About 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide

2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 62020724) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide
PubChem CID62020724
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H21N3O3S/c1-10(2)15-13(17)8-16(3)20(18,19)9-11-6-4-5-7-12(11)14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyNDMQJVCIHARBPW-UHFFFAOYSA-N
XLogP0.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
CID 62021460
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
CID 62020164
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide
CID 62020901
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 61127954
2-[(2-carbamothioylphenyl)methylsulfonyl-methylamino]-N-methylacetamide
CID 43375339
1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
CID 62020148
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 8815605

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide (CID 62020724) is 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is NDMQJVCIHARBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(2)15-13(17)8-16(3)20(18,19)9-11-6-4-5-7-12(11)14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide?
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 299.40 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62020724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).