N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C23H29N3O6S — CID 55639592

IUPACN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C23H29N3O6S/c1-16-9-5-6-10-19(16)26(33(4,29)30)15-22(27)24-18-14-21(32-3)20(31-2)13-17(18)23(28)25-11-7-8-12-25/h5-6,9-10,13-14H,7-8,11-12,15H2,1-4H3,(H,24,27)
InChIKeyPJCOTLNSOOKFIY-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.65
Rot. Bonds8

About N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 55639592) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID55639592
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C23H29N3O6S/c1-16-9-5-6-10-19(16)26(33(4,29)30)15-22(27)24-18-14-21(32-3)20(31-2)13-17(18)23(28)25-11-7-8-12-25/h5-6,9-10,13-14H,7-8,11-12,15H2,1-4H3,(H,24,27)
InChIKeyPJCOTLNSOOKFIY-UHFFFAOYSA-N
XLogP2.65
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 32511900
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 2977453
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 19061705
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17313016
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1317655
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 92680849
N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30276109
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772784
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3335724
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30224711

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 55639592) is N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is COc1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is PJCOTLNSOOKFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-16-9-5-6-10-19(16)26(33(4,29)30)15-22(27)24-18-14-21(32-3)20(31-2)13-17(18)23(28)25-11-7-8-12-25/h5-6,9-10,13-14H,7-8,11-12,15H2,1-4H3,(H,24,27).
What are the key properties of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 475.57 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 55639592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).