N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide

C17H26N2O3S — CID 119574353

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide
SMILESCC(CN)(NC(=O)CS(=O)(=O)CCCc1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O3S/c1-17(13-18,15-9-10-15)19-16(20)12-23(21,22)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,18H2,1H3,(H,19,20)
InChIKeyNBSGAXGAHUBFHR-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.28
Rot. Bonds9

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide (PubChem CID 119574353) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide
PubChem CID119574353
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide
SMILESCC(CN)(NC(=O)CS(=O)(=O)CCCc1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O3S/c1-17(13-18,15-9-10-15)19-16(20)12-23(21,22)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,18H2,1H3,(H,19,20)
InChIKeyNBSGAXGAHUBFHR-UHFFFAOYSA-N
XLogP1.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide (CID 119574353) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide is CC(CN)(NC(=O)CS(=O)(=O)CCCc1ccccc1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide?
The InChIKey is NBSGAXGAHUBFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(13-18,15-9-10-15)19-16(20)12-23(21,22)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,18H2,1H3,(H,19,20).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide has a molecular weight of 338.47 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide is sourced from PubChem (CID 119574353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).