4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide

C23H32N2O6S — CID 100767592

IUPAC4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCOc1cc(CNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C23H32N2O6S/c1-16-9-7-10-19(17(16)2)25(32(6,27)28)12-8-11-22(26)24-15-18-13-20(29-3)23(31-5)21(14-18)30-4/h7,9-10,13-14H,8,11-12,15H2,1-6H3,(H,24,26)
InChIKeyHISSGSVERVOLCS-UHFFFAOYSA-N
MW464.58 g/mol
LogP3.19
Rot. Bonds11

About 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide

4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide (PubChem CID 100767592) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
PubChem CID100767592
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC Name4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCOc1cc(CNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C23H32N2O6S/c1-16-9-7-10-19(17(16)2)25(32(6,27)28)12-8-11-22(26)24-15-18-13-20(29-3)23(31-5)21(14-18)30-4/h7,9-10,13-14H,8,11-12,15H2,1-6H3,(H,24,26)
InChIKeyHISSGSVERVOLCS-UHFFFAOYSA-N
XLogP3.19
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide with MolForge

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Related Compounds

4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286851
N-(3,4-dimethoxyphenyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 53286543
N-[3-(dimethylamino)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100727714
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 53286646
N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide
CID 60525101
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133187595
4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53288641
N-[(3-ethoxyphenyl)methyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288365
N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 53287737
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132422

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The IUPAC name of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide (CID 100767592) is 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide is COc1cc(CNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc(OC)c1OC.
What is the InChIKey of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The InChIKey is HISSGSVERVOLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-16-9-7-10-19(17(16)2)25(32(6,27)28)12-8-11-22(26)24-15-18-13-20(29-3)23(31-5)21(14-18)30-4/h7,9-10,13-14H,8,11-12,15H2,1-6H3,(H,24,26).
What are the key properties of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide has a molecular weight of 464.58 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 100767592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).