N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide

C17H23NO4S — CID 75461588

IUPACN-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide
SMILESCC(C1CC1)N(C(=O)COc1cccc(S(C)(=O)=O)c1)C1CC1
InChIInChI=1S/C17H23NO4S/c1-12(13-6-7-13)18(14-8-9-14)17(19)11-22-15-4-3-5-16(10-15)23(2,20)21/h3-5,10,12-14H,6-9,11H2,1-2H3
InChIKeyDHTCAUFGSCHWBF-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.26
Rot. Bonds7

About N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide

N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide (PubChem CID 75461588) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide
PubChem CID75461588
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC NameN-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide
SMILESCC(C1CC1)N(C(=O)COc1cccc(S(C)(=O)=O)c1)C1CC1
InChIInChI=1S/C17H23NO4S/c1-12(13-6-7-13)18(14-8-9-14)17(19)11-22-15-4-3-5-16(10-15)23(2,20)21/h3-5,10,12-14H,6-9,11H2,1-2H3
InChIKeyDHTCAUFGSCHWBF-UHFFFAOYSA-N
XLogP2.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(3-methylsulfonylphenoxy)ethanone
CID 63904019
N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide
CID 55733109
N-(2-cyanoethyl)-N-methyl-2-(3-methylsulfonylphenoxy)acetamide
CID 43803923
1-(4-cyclopropylpiperazin-1-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 56799528
2-(3-aminophenoxy)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)acetamide
CID 61109669
2-[cyclopropyl-(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 119202183
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methylsulfonylphenoxy)ethanone
CID 94140358
1-[(4S)-4-methylazepan-1-yl]-2-(3-methylsulfonylphenoxy)ethanone
CID 95591231
N,3-dimethyl-N-[3-(3-methylsulfonylphenoxy)propyl]butanamide
CID 49009562
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612917

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide (CID 75461588) is N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide is CC(C1CC1)N(C(=O)COc1cccc(S(C)(=O)=O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide?
The InChIKey is DHTCAUFGSCHWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-12(13-6-7-13)18(14-8-9-14)17(19)11-22-15-4-3-5-16(10-15)23(2,20)21/h3-5,10,12-14H,6-9,11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide?
N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide has a molecular weight of 337.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-cyclopropylethyl)-2-(3-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 75461588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).