N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide

C17H21N3O5S — CID 113151798

IUPACN-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccncc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C17H21N3O5S/c1-24-15-5-4-14(10-16(15)25-2)19-17(21)12-20(26(3,22)23)11-13-6-8-18-9-7-13/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyPDZCMHZAOBBUPG-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.50
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide

N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 113151798) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
PubChem CID113151798
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccncc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C17H21N3O5S/c1-24-15-5-4-14(10-16(15)25-2)19-17(21)12-20(26(3,22)23)11-13-6-8-18-9-7-13/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyPDZCMHZAOBBUPG-UHFFFAOYSA-N
XLogP1.50
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 126396765
3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067429
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126058112
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126062078
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140115
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126065599
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide (CID 113151798) is N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide is COc1ccc(NC(=O)CN(Cc2ccncc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is PDZCMHZAOBBUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-15-5-4-14(10-16(15)25-2)19-17(21)12-20(26(3,22)23)11-13-6-8-18-9-7-13/h4-10H,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 379.44 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 113151798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).