N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide

C16H26N2O6S — CID 113156834

IUPACN-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cc(N(CC(=O)NCC(C)C)S(C)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C16H26N2O6S/c1-11(2)9-17-15(19)10-18(25(6,20)21)12-7-13(22-3)16(24-5)14(8-12)23-4/h7-8,11H,9-10H2,1-6H3,(H,17,19)
InChIKeyMVYOACQEGKVPIG-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.25
Rot. Bonds9

About N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide

N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 113156834) has the molecular formula C16H26N2O6S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID113156834
Molecular FormulaC16H26N2O6S
Molecular Weight374.46 g/mol
Exact Mass374.15
IUPAC NameN-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cc(N(CC(=O)NCC(C)C)S(C)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C16H26N2O6S/c1-11(2)9-17-15(19)10-18(25(6,20)21)12-7-13(22-3)16(24-5)14(8-12)23-4/h7-8,11H,9-10H2,1-6H3,(H,17,19)
InChIKeyMVYOACQEGKVPIG-UHFFFAOYSA-N
XLogP1.25
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3138298
2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30220187
2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30221910
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3917136
2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 4052422
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125074220
2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 113155171
N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 2271520
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(2R)-2-phenylpropyl]acetamide
CID 125057558
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide
CID 2898932

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide (CID 113156834) is N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide is COc1cc(N(CC(=O)NCC(C)C)S(C)(=O)=O)cc(OC)c1OC.
What is the InChIKey of N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is MVYOACQEGKVPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6S/c1-11(2)9-17-15(19)10-18(25(6,20)21)12-7-13(22-3)16(24-5)14(8-12)23-4/h7-8,11H,9-10H2,1-6H3,(H,17,19).
What are the key properties of N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide?
N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 374.46 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113156834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).