3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide

C21H25N5O3S — CID 55849533

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2ccnc(-n3ccnc3C)c2)c(C)c1
InChIInChI=1S/C21H25N5O3S/c1-15-4-5-19(16(2)12-15)30(28,29)25-9-7-21(27)24-14-18-6-8-23-20(13-18)26-11-10-22-17(26)3/h4-6,8,10-13,25H,7,9,14H2,1-3H3,(H,24,27)
InChIKeyPUSALSBXXSUQTI-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.18
Rot. Bonds8

About 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide

3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide (PubChem CID 55849533) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
PubChem CID55849533
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2ccnc(-n3ccnc3C)c2)c(C)c1
InChIInChI=1S/C21H25N5O3S/c1-15-4-5-19(16(2)12-15)30(28,29)25-9-7-21(27)24-14-18-6-8-23-20(13-18)26-11-10-22-17(26)3/h4-6,8,10-13,25H,7,9,14H2,1-3H3,(H,24,27)
InChIKeyPUSALSBXXSUQTI-UHFFFAOYSA-N
XLogP2.18
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55906894
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide
CID 55945803
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 55727875
4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 51121171
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55635678
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55913357
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55656360
3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 51087807
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55869727

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide (CID 55849533) is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccnc(-n3ccnc3C)c2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide?
The InChIKey is PUSALSBXXSUQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-15-4-5-19(16(2)12-15)30(28,29)25-9-7-21(27)24-14-18-6-8-23-20(13-18)26-11-10-22-17(26)3/h4-6,8,10-13,25H,7,9,14H2,1-3H3,(H,24,27).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide has a molecular weight of 427.53 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55849533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).