N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide

C15H23NO4S — CID 86828499

IUPACN-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide
SMILESCc1cccc(OCC(C)NC(=O)CS(=O)(=O)C(C)C)c1
InChIInChI=1S/C15H23NO4S/c1-11(2)21(18,19)10-15(17)16-13(4)9-20-14-7-5-6-12(3)8-14/h5-8,11,13H,9-10H2,1-4H3,(H,16,17)
InChIKeyXQRXPOYBRLVDCM-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.70
Rot. Bonds7

About N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide

N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide (PubChem CID 86828499) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide
PubChem CID86828499
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide
SMILESCc1cccc(OCC(C)NC(=O)CS(=O)(=O)C(C)C)c1
InChIInChI=1S/C15H23NO4S/c1-11(2)21(18,19)10-15(17)16-13(4)9-20-14-7-5-6-12(3)8-14/h5-8,11,13H,9-10H2,1-4H3,(H,16,17)
InChIKeyXQRXPOYBRLVDCM-UHFFFAOYSA-N
XLogP1.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide
CID 119950399
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide
CID 86828425
4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 119300010
2-amino-N-[1-(3-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 120667713
4-(ethylsulfamoyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 86830095
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
1-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119300012
N-(1-chloropropan-2-yl)-3-(3-methylphenoxy)propanamide
CID 114299616
2-(3-methoxyphenoxy)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132651357
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
CID 119742802

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide (CID 86828499) is N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide is Cc1cccc(OCC(C)NC(=O)CS(=O)(=O)C(C)C)c1.
What is the InChIKey of N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide?
The InChIKey is XQRXPOYBRLVDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(2)21(18,19)10-15(17)16-13(4)9-20-14-7-5-6-12(3)8-14/h5-8,11,13H,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide?
N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide has a molecular weight of 313.42 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 86828499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).