N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C18H20N4O3S — CID 167837721

IUPACN-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(C(C)(C)C#N)c1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C18H20N4O3S/c1-18(2,13-19)14-6-4-7-15(10-14)21-17(23)12-22(3)26(24,25)16-8-5-9-20-11-16/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyWXLVBWHTMHRDOE-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.14
Rot. Bonds6

About N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 167837721) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID167837721
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(C(C)(C)C#N)c1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C18H20N4O3S/c1-18(2,13-19)14-6-4-7-15(10-14)21-17(23)12-22(3)26(24,25)16-8-5-9-20-11-16/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyWXLVBWHTMHRDOE-UHFFFAOYSA-N
XLogP2.14
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 119357610
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55857428
N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119569250
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 55663160
N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55668358
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
2-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526439
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 167837721) is N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1cccc(C(C)(C)C#N)c1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is WXLVBWHTMHRDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-18(2,13-19)14-6-4-7-15(10-14)21-17(23)12-22(3)26(24,25)16-8-5-9-20-11-16/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 167837721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).