3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

C20H27N3O3S — CID 51162022

IUPAC3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCc2cccnc2)c(C)c1C
InChIInChI=1S/C20H27N3O3S/c1-13-14(2)16(4)20(17(5)15(13)3)27(25,26)23-10-8-19(24)22-12-18-7-6-9-21-11-18/h6-7,9,11,23H,8,10,12H2,1-5H3,(H,22,24)
InChIKeyGGEJFRRVBNFXKZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.61
Rot. Bonds7

About 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 51162022) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID51162022
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCc2cccnc2)c(C)c1C
InChIInChI=1S/C20H27N3O3S/c1-13-14(2)16(4)20(17(5)15(13)3)27(25,26)23-10-8-19(24)22-12-18-7-6-9-21-11-18/h6-7,9,11,23H,8,10,12H2,1-5H3,(H,22,24)
InChIKeyGGEJFRRVBNFXKZ-UHFFFAOYSA-N
XLogP2.61
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1210518
3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023524
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55662373
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 17310054
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
3-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119176966
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (CID 51162022) is 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCc2cccnc2)c(C)c1C.
What is the InChIKey of 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is GGEJFRRVBNFXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-13-14(2)16(4)20(17(5)15(13)3)27(25,26)23-10-8-19(24)22-12-18-7-6-9-21-11-18/h6-7,9,11,23H,8,10,12H2,1-5H3,(H,22,24).
What are the key properties of 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 389.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 51162022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).