N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C20H26N2O3S — CID 113151893

IUPACN-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCCN(C(=O)CN(CCc1ccccc1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C20H26N2O3S/c1-4-22(19-12-8-9-17(2)15-19)20(23)16-21(26(3,24)25)14-13-18-10-6-5-7-11-18/h5-12,15H,4,13-14,16H2,1-3H3
InChIKeyKLRVPWJZDMZMMU-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.85
Rot. Bonds8

About N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 113151893) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID113151893
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCCN(C(=O)CN(CCc1ccccc1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C20H26N2O3S/c1-4-22(19-12-8-9-17(2)15-19)20(23)16-21(26(3,24)25)14-13-18-10-6-5-7-11-18/h5-12,15H,4,13-14,16H2,1-3H3
InChIKeyKLRVPWJZDMZMMU-UHFFFAOYSA-N
XLogP2.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113151118
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150932
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154382
N-ethyl-2-(2-ethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154140
N-ethyl-2-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113155154
N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide
CID 113149508
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137618
3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109023151

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 113151893) is N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is CCN(C(=O)CN(CCc1ccccc1)S(C)(=O)=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is KLRVPWJZDMZMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-22(19-12-8-9-17(2)15-19)20(23)16-21(26(3,24)25)14-13-18-10-6-5-7-11-18/h5-12,15H,4,13-14,16H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 113151893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).