N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide

C17H21N3O3S — CID 47027647

IUPACN-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCc1ccccc1C(C)NC(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C17H21N3O3S/c1-13-6-3-4-8-16(13)14(2)20-17(21)9-11-19-24(22,23)15-7-5-10-18-12-15/h3-8,10,12,14,19H,9,11H2,1-2H3,(H,20,21)
InChIKeyYSDCZQZGIYVSLF-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.94
Rot. Bonds7

About N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide

N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide (PubChem CID 47027647) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
PubChem CID47027647
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCc1ccccc1C(C)NC(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C17H21N3O3S/c1-13-6-3-4-8-16(13)14(2)20-17(21)9-11-19-24(22,23)15-7-5-10-18-12-15/h3-8,10,12,14,19H,9,11H2,1-2H3,(H,20,21)
InChIKeyYSDCZQZGIYVSLF-UHFFFAOYSA-N
XLogP1.94
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072375
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51149160
N-[1-(2-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24544702
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119607953
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
N-[1-(2-chlorophenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24543985
N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297
4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
CID 119357149
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119642641
1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014443

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide (CID 47027647) is N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide is Cc1ccccc1C(C)NC(=O)CCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The InChIKey is YSDCZQZGIYVSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-6-3-4-8-16(13)14(2)20-17(21)9-11-19-24(22,23)15-7-5-10-18-12-15/h3-8,10,12,14,19H,9,11H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide is sourced from PubChem (CID 47027647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).