2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide

C19H24N4O4S — CID 55670864

IUPAC2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C19H24N4O4S/c1-14(2)19(25)22-16-8-6-15(7-9-16)11-21-18(24)13-23(3)28(26,27)17-5-4-10-20-12-17/h4-10,12,14H,11,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyXJVQRHVMCCNGOJ-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.61
Rot. Bonds8

About 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide

2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide (PubChem CID 55670864) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide
PubChem CID55670864
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C19H24N4O4S/c1-14(2)19(25)22-16-8-6-15(7-9-16)11-21-18(24)13-23(3)28(26,27)17-5-4-10-20-12-17/h4-10,12,14H,11,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyXJVQRHVMCCNGOJ-UHFFFAOYSA-N
XLogP1.61
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide with MolForge

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Related Compounds

2-[methyl(pyridin-3-ylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55850501
N-[[2-(difluoromethoxy)phenyl]methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55665911
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
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55666194
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 46464930
2-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide (CID 55670864) is 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide?
The InChIKey is XJVQRHVMCCNGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-14(2)19(25)22-16-8-6-15(7-9-16)11-21-18(24)13-23(3)28(26,27)17-5-4-10-20-12-17/h4-10,12,14H,11,13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide?
2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide has a molecular weight of 404.49 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide is sourced from PubChem (CID 55670864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).