3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

C17H18N6O3S — CID 31963033

IUPAC3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H18N6O3S/c24-17(7-9-21-27(25,26)16-2-1-8-18-10-16)22-15-5-3-14(4-6-15)11-23-13-19-12-20-23/h1-6,8,10,12-13,21H,7,9,11H2,(H,22,24)
InChIKeyUNLLJAPUMAOXHL-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.03
Rot. Bonds8

About 3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 31963033) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID31963033
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H18N6O3S/c24-17(7-9-21-27(25,26)16-2-1-8-18-10-16)22-15-5-3-14(4-6-15)11-23-13-19-12-20-23/h1-6,8,10,12-13,21H,7,9,11H2,(H,22,24)
InChIKeyUNLLJAPUMAOXHL-UHFFFAOYSA-N
XLogP1.03
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 43073180
N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 43072776
3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 60867982
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
4-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 120564502
2-thiophen-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 36516876
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959825
2-azido-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 46318276
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39895873
tert-butyl N-[4-oxo-4-[4-(1,2,4-triazol-1-ylmethyl)anilino]butyl]carbamate
CID 78860163
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide
CID 42063957

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 31963033) is 3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is O=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is UNLLJAPUMAOXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c24-17(7-9-21-27(25,26)16-2-1-8-18-10-16)22-15-5-3-14(4-6-15)11-23-13-19-12-20-23/h1-6,8,10,12-13,21H,7,9,11H2,(H,22,24).
What are the key properties of 3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 386.44 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 31963033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).