3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide

C19H20N4O3S2 — CID 122276744

IUPAC3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide
SMILESCc1cccc(S(=O)(=O)NCCC(=O)NCc2nccnc2-c2ccsc2)c1
InChIInChI=1S/C19H20N4O3S2/c1-14-3-2-4-16(11-14)28(25,26)23-7-5-18(24)22-12-17-19(21-9-8-20-17)15-6-10-27-13-15/h2-4,6,8-11,13,23H,5,7,12H2,1H3,(H,22,24)
InChIKeyRMNJTEDAPDYVRS-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.50
Rot. Bonds8

About 3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide

3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide (PubChem CID 122276744) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide
PubChem CID122276744
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide
SMILESCc1cccc(S(=O)(=O)NCCC(=O)NCc2nccnc2-c2ccsc2)c1
InChIInChI=1S/C19H20N4O3S2/c1-14-3-2-4-16(11-14)28(25,26)23-7-5-18(24)22-12-17-19(21-9-8-20-17)15-6-10-27-13-15/h2-4,6,8-11,13,23H,5,7,12H2,1H3,(H,22,24)
InChIKeyRMNJTEDAPDYVRS-UHFFFAOYSA-N
XLogP2.50
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 122277014
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177686
N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
CID 91817264
1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276968
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276832
5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 122277039
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162296
5-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyrazine-2-carboxamide
CID 122276820
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122276862
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of 3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide (CID 122276744) is 3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide is Cc1cccc(S(=O)(=O)NCCC(=O)NCc2nccnc2-c2ccsc2)c1.
What is the InChIKey of 3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide?
The InChIKey is RMNJTEDAPDYVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-14-3-2-4-16(11-14)28(25,26)23-7-5-18(24)22-12-17-19(21-9-8-20-17)15-6-10-27-13-15/h2-4,6,8-11,13,23H,5,7,12H2,1H3,(H,22,24).
What are the key properties of 3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide?
3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide has a molecular weight of 416.53 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 122276744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).