N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

C25H28N2O4S — CID 30172216

IUPACN-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCOc1ccc(C)cc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-10-13-22(14-11-19)32(29,30)27(23-16-20(2)12-15-24(23)31-4)18-25(28)26(3)17-21-8-6-5-7-9-21/h5-16H,17-18H2,1-4H3
InChIKeyBMUNPOQKHJMZTA-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.17
Rot. Bonds8

About N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (PubChem CID 30172216) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
PubChem CID30172216
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCOc1ccc(C)cc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-10-13-22(14-11-19)32(29,30)27(23-16-20(2)12-15-24(23)31-4)18-25(28)26(3)17-21-8-6-5-7-9-21/h5-16H,17-18H2,1-4H3
InChIKeyBMUNPOQKHJMZTA-UHFFFAOYSA-N
XLogP4.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 28633355
N-benzyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 3428518
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 30304869
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-benzyl-N-methylacetamide
CID 30169202
N-benzyl-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 1100135
2-[benzyl-[2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylbutanamide
CID 132690583
(2R)-2-[benzyl-[2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-tert-butylpropanamide
CID 125101975
2-[[2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132642388
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 2273005
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100789894
(2S)-N-butyl-2-[[2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100600803
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 125051551

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (CID 30172216) is N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is COc1ccc(C)cc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The InChIKey is BMUNPOQKHJMZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19-10-13-22(14-11-19)32(29,30)27(23-16-20(2)12-15-24(23)31-4)18-25(28)26(3)17-21-8-6-5-7-9-21/h5-16H,17-18H2,1-4H3.
What are the key properties of N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide has a molecular weight of 452.58 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 30172216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).