N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide

C18H22N2O4S — CID 112998607

IUPACN-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
SMILESCOc1ccccc1NC(=O)CNS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-24-17-12-6-5-11-16(17)20-18(21)14-19-25(22,23)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,19H,7,10,13-14H2,1H3,(H,20,21)
InChIKeyCSNOYLDNKVMUTH-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.19
Rot. Bonds9

About N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide

N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide (PubChem CID 112998607) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
PubChem CID112998607
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
SMILESCOc1ccccc1NC(=O)CNS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-24-17-12-6-5-11-16(17)20-18(21)14-19-25(22,23)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,19H,7,10,13-14H2,1H3,(H,20,21)
InChIKeyCSNOYLDNKVMUTH-UHFFFAOYSA-N
XLogP2.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112999271
N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112998959
methyl 4-[[2-(3-phenylpropylsulfonylamino)acetyl]amino]benzoate
CID 112999988
2-(butylsulfonylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999026
2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide
CID 4306504
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112996509
2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
CID 112994808
N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide
CID 112998937
2-[2-methoxyethyl(3-phenylpropyl)amino]-N-(2-methoxyphenyl)acetamide
CID 86860860
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide (CID 112998607) is N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide is COc1ccccc1NC(=O)CNS(=O)(=O)CCCc1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
The InChIKey is CSNOYLDNKVMUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-24-17-12-6-5-11-16(17)20-18(21)14-19-25(22,23)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,19H,7,10,13-14H2,1H3,(H,20,21).
What are the key properties of N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide is sourced from PubChem (CID 112998607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).