3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

C18H18N6O3S — CID 30854792

IUPAC3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C18H18N6O3S/c25-18(23-16-6-7-17(20-12-16)24-14-19-13-21-24)8-10-22-28(26,27)11-9-15-4-2-1-3-5-15/h1-7,9,11-14,22H,8,10H2,(H,23,25)/b11-9+
InChIKeyMBDFQRJIHVERAL-PKNBQFBNSA-N
MW398.45 g/mol
LogP1.58
Rot. Bonds8

About 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 30854792) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
PubChem CID30854792
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC Name3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C18H18N6O3S/c25-18(23-16-6-7-17(20-12-16)24-14-19-13-21-24)8-10-22-28(26,27)11-9-15-4-2-1-3-5-15/h1-7,9,11-14,22H,8,10H2,(H,23,25)/b11-9+
InChIKeyMBDFQRJIHVERAL-PKNBQFBNSA-N
XLogP1.58
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
(Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide
CID 97462637
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 25342750
1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 30765886
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 60732618
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 38626738
N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 34304081
3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 62839172
(E)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 30806009
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide
CID 55479710
N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27649780
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (CID 30854792) is 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The InChIKey is MBDFQRJIHVERAL-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H18N6O3S/c25-18(23-16-6-7-17(20-12-16)24-14-19-13-21-24)8-10-22-28(26,27)11-9-15-4-2-1-3-5-15/h1-7,9,11-14,22H,8,10H2,(H,23,25)/b11-9+.
What are the key properties of 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 398.45 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 30854792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).