N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide

C20H25N3O5S — CID 133210259

IUPACN-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C20H25N3O5S/c1-23(29(3,26)27)18(15-9-5-4-6-10-15)20(25)22-17-12-8-7-11-16(17)19(24)21-13-14-28-2/h4-12,18H,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyAWNDYZDQKHTEPV-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.63
Rot. Bonds9

About N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide

N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide (PubChem CID 133210259) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
PubChem CID133210259
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C20H25N3O5S/c1-23(29(3,26)27)18(15-9-5-4-6-10-15)20(25)22-17-12-8-7-11-16(17)19(24)21-13-14-28-2/h4-12,18H,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyAWNDYZDQKHTEPV-UHFFFAOYSA-N
XLogP1.63
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 125054943
N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133178688
2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133161127
ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate
CID 133164044
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 132671344
N-(2-methoxyethyl)-2-[[(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzamide
CID 100748404
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(2-phenylphenyl)acetamide
CID 125058384
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2211958
N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133252135
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
CID 133165364

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide (CID 133210259) is N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide is COCCNC(=O)c1ccccc1NC(=O)C(c1ccccc1)N(C)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide?
The InChIKey is AWNDYZDQKHTEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-23(29(3,26)27)18(15-9-5-4-6-10-15)20(25)22-17-12-8-7-11-16(17)19(24)21-13-14-28-2/h4-12,18H,13-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide?
N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide has a molecular weight of 419.50 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide is sourced from PubChem (CID 133210259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).