3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide

C16H16FN5O3S2 — CID 122275733

IUPAC3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H16FN5O3S2/c17-14-3-1-2-4-15(14)27(24,25)19-7-5-16(23)18-9-12-10-22(21-20-12)13-6-8-26-11-13/h1-4,6,8,10-11,19H,5,7,9H2,(H,18,23)
InChIKeyMJYTWJARGXVCTL-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.45
Rot. Bonds8

About 3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide

3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide (PubChem CID 122275733) has the molecular formula C16H16FN5O3S2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
PubChem CID122275733
Molecular FormulaC16H16FN5O3S2
Molecular Weight409.47 g/mol
Exact Mass409.07
IUPAC Name3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H16FN5O3S2/c17-14-3-1-2-4-15(14)27(24,25)19-7-5-16(23)18-9-12-10-22(21-20-12)13-6-8-26-11-13/h1-4,6,8,10-11,19H,5,7,9H2,(H,18,23)
InChIKeyMJYTWJARGXVCTL-UHFFFAOYSA-N
XLogP1.45
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide (CID 122275733) is 3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1F)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The InChIKey is MJYTWJARGXVCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S2/c17-14-3-1-2-4-15(14)27(24,25)19-7-5-16(23)18-9-12-10-22(21-20-12)13-6-8-26-11-13/h1-4,6,8,10-11,19H,5,7,9H2,(H,18,23).
What are the key properties of 3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide has a molecular weight of 409.47 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylamino]-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide is sourced from PubChem (CID 122275733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).