3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

C19H20N6O4S — CID 43064718

IUPAC3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1)n1cncn1
InChIInChI=1S/C19H20N6O4S/c1-13(25-12-20-11-21-25)18(26)22-15-6-8-16(9-7-15)23-19(27)14-4-3-5-17(10-14)24-30(2,28)29/h3-13,24H,1-2H3,(H,22,26)(H,23,27)
InChIKeyUEERPDRHOUZDEM-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.10
Rot. Bonds7

About 3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (PubChem CID 43064718) has the molecular formula C19H20N6O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
PubChem CID43064718
Molecular FormulaC19H20N6O4S
Molecular Weight428.47 g/mol
Exact Mass428.13
IUPAC Name3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1)n1cncn1
InChIInChI=1S/C19H20N6O4S/c1-13(25-12-20-11-21-25)18(26)22-15-6-8-16(9-7-15)23-19(27)14-4-3-5-17(10-14)24-30(2,28)29/h3-13,24H,1-2H3,(H,22,26)(H,23,27)
InChIKeyUEERPDRHOUZDEM-UHFFFAOYSA-N
XLogP2.10
TPSA135.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
2,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinoxaline-6-carboxamide
CID 55652859
4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 55621765
5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 43064394
3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46431579
N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729037
4-pyrazol-1-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43071024
2,3-dichloro-N-[4-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]benzamide
CID 32597299
1,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 43074233
3-methylsulfonyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 138044154
(2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 31912423
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (CID 43064718) is 3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is CC(C(=O)Nc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1)n1cncn1.
What is the InChIKey of 3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The InChIKey is UEERPDRHOUZDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S/c1-13(25-12-20-11-21-25)18(26)22-15-6-8-16(9-7-15)23-19(27)14-4-3-5-17(10-14)24-30(2,28)29/h3-13,24H,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide has a molecular weight of 428.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 43064718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).