3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide

C14H20N2O3S — CID 119785652

IUPAC3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCC(CS(C)(=O)=O)N(C(=O)c1cccc(N)c1)C1CC1
InChIInChI=1S/C14H20N2O3S/c1-10(9-20(2,18)19)16(13-6-7-13)14(17)11-4-3-5-12(15)8-11/h3-5,8,10,13H,6-7,9,15H2,1-2H3
InChIKeyHHFAECJVKSFIAX-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.31
Rot. Bonds5

About 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide

3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide (PubChem CID 119785652) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide
PubChem CID119785652
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCC(CS(C)(=O)=O)N(C(=O)c1cccc(N)c1)C1CC1
InChIInChI=1S/C14H20N2O3S/c1-10(9-20(2,18)19)16(13-6-7-13)14(17)11-4-3-5-12(15)8-11/h3-5,8,10,13H,6-7,9,15H2,1-2H3
InChIKeyHHFAECJVKSFIAX-UHFFFAOYSA-N
XLogP1.31
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide (CID 119785652) is 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide is CC(CS(C)(=O)=O)N(C(=O)c1cccc(N)c1)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
The InChIKey is HHFAECJVKSFIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(9-20(2,18)19)16(13-6-7-13)14(17)11-4-3-5-12(15)8-11/h3-5,8,10,13H,6-7,9,15H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide?
3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide has a molecular weight of 296.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide is sourced from PubChem (CID 119785652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).