N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide

C21H28N2O4S — CID 100512988

IUPACN-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-17-10-12-18(13-11-17)15-23(28(3,25)26)16-21(24)22-14-6-8-19-7-4-5-9-20(19)27-2/h4-5,7,9-13H,6,8,14-16H2,1-3H3,(H,22,24)
InChIKeyNZKNZMIXHJMIFB-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.51
Rot. Bonds10

About N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide

N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 100512988) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID100512988
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccccc1CCCNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-17-10-12-18(13-11-17)15-23(28(3,25)26)16-21(24)22-14-6-8-19-7-4-5-9-20(19)27-2/h4-5,7,9-13H,6,8,14-16H2,1-3H3,(H,22,24)
InChIKeyNZKNZMIXHJMIFB-UHFFFAOYSA-N
XLogP2.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 100750759
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30212432
N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148084
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30221676
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
N-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100560422
N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30277429
N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100554880
N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151171
2-[benzyl(methylsulfonyl)amino]-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 100750228

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide (CID 100512988) is N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide is COc1ccccc1CCCNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is NZKNZMIXHJMIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-17-10-12-18(13-11-17)15-23(28(3,25)26)16-21(24)22-14-6-8-19-7-4-5-9-20(19)27-2/h4-5,7,9-13H,6,8,14-16H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 100512988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).