2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide

C19H21N3O5S — CID 33116898

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(OC)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C19H21N3O5S/c1-22(28(24,25)17-7-4-14(11-20)5-8-17)13-19(23)21-12-15-10-16(26-2)6-9-18(15)27-3/h4-10H,12-13H2,1-3H3,(H,21,23)
InChIKeyWPUNWPNRDJYGRA-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.51
Rot. Bonds8

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide (PubChem CID 33116898) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide
PubChem CID33116898
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(OC)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C19H21N3O5S/c1-22(28(24,25)17-7-4-14(11-20)5-8-17)13-19(23)21-12-15-10-16(26-2)6-9-18(15)27-3/h4-10H,12-13H2,1-3H3,(H,21,23)
InChIKeyWPUNWPNRDJYGRA-UHFFFAOYSA-N
XLogP1.51
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794222
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide
CID 49336755
N-(2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1208722
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 46422875
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 55594335
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55747187
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78852195
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1294275

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide (CID 33116898) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide is COc1ccc(OC)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
The InChIKey is WPUNWPNRDJYGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-22(28(24,25)17-7-4-14(11-20)5-8-17)13-19(23)21-12-15-10-16(26-2)6-9-18(15)27-3/h4-10H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide has a molecular weight of 403.46 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 33116898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).