N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide

C16H23NO4S — CID 51096284

IUPACN-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide
SMILESCN(CC1CC1)C(=O)CCCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H23NO4S/c1-17(12-13-5-6-13)16(18)4-3-11-21-14-7-9-15(10-8-14)22(2,19)20/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyQHZRZBIXWVWEMN-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.12
Rot. Bonds8

About N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide

N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide (PubChem CID 51096284) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide
PubChem CID51096284
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC NameN-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide
SMILESCN(CC1CC1)C(=O)CCCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H23NO4S/c1-17(12-13-5-6-13)16(18)4-3-11-21-14-7-9-15(10-8-14)22(2,19)20/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyQHZRZBIXWVWEMN-UHFFFAOYSA-N
XLogP2.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
CID 119306199
N-(2-cyanoethyl)-N-methyl-3-(4-methylsulfonylphenoxy)propanamide
CID 43806975
2-methyl-3-[methyl-[5-(4-methylsulfonylphenoxy)pentanoyl]amino]propanoic acid
CID 122111798
N-methyl-4-(4-methylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 94815849
6-(4-methylsulfonylphenoxy)hexan-3-one
CID 106801965
2-[4-(4-methylsulfonylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 119198017
N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 36521100
N-methylsulfonyl-4-(4-methylsulfonylphenoxy)butanamide
CID 56800043
4-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]butanoic acid
CID 119134959
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-4-(4-methylsulfonylphenoxy)butan-1-one
CID 124689221
1-(4-amino-2-methylpiperidin-1-yl)-4-(4-methylsulfonylphenoxy)butan-1-one
CID 122149188
2-[methyl-[3-(4-methylsulfonylphenoxy)propanoyl]amino]propanoic acid
CID 119358763

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide (CID 51096284) is N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide is CN(CC1CC1)C(=O)CCCOc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide?
The InChIKey is QHZRZBIXWVWEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-17(12-13-5-6-13)16(18)4-3-11-21-14-7-9-15(10-8-14)22(2,19)20/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide?
N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide has a molecular weight of 325.43 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-4-(4-methylsulfonylphenoxy)butanamide is sourced from PubChem (CID 51096284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).