2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide

C19H22N4O4S — CID 55747187

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1
InChIInChI=1S/C19H22N4O4S/c1-14(2)27-19-9-6-16(12-22-19)11-21-18(24)13-23(3)28(25,26)17-7-4-15(10-20)5-8-17/h4-9,12,14H,11,13H2,1-3H3,(H,21,24)
InChIKeyQRVNLNFPXHHHLV-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.68
Rot. Bonds8

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide (PubChem CID 55747187) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
PubChem CID55747187
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1
InChIInChI=1S/C19H22N4O4S/c1-14(2)27-19-9-6-16(12-22-19)11-21-18(24)13-23(3)28(25,26)17-7-4-15(10-20)5-8-17/h4-9,12,14H,11,13H2,1-3H3,(H,21,24)
InChIKeyQRVNLNFPXHHHLV-UHFFFAOYSA-N
XLogP1.68
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide
CID 49336755
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 100594636
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55744571
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33116898
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55785725
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55975623
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 24664138
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 55614997
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide (CID 55747187) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The InChIKey is QRVNLNFPXHHHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-14(2)27-19-9-6-16(12-22-19)11-21-18(24)13-23(3)28(25,26)17-7-4-15(10-20)5-8-17/h4-9,12,14H,11,13H2,1-3H3,(H,21,24).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide has a molecular weight of 402.48 g/mol, XLogP of 1.68, 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-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55747187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).