N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide

C14H20N4O3S — CID 91841182

IUPACN-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
SMILESCCn1nc(CNC(=O)CCNS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C14H20N4O3S/c1-3-18-13-7-5-4-6-11(13)12(17-18)10-15-14(19)8-9-16-22(2,20)21/h4-7,16H,3,8-10H2,1-2H3,(H,15,19)
InChIKeyQPWNNNPGMRZSKN-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.61
Rot. Bonds7

About N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide

N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide (PubChem CID 91841182) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
PubChem CID91841182
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
SMILESCCn1nc(CNC(=O)CCNS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C14H20N4O3S/c1-3-18-13-7-5-4-6-11(13)12(17-18)10-15-14(19)8-9-16-22(2,20)21/h4-7,16H,3,8-10H2,1-2H3,(H,15,19)
InChIKeyQPWNNNPGMRZSKN-UHFFFAOYSA-N
XLogP0.61
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide (CID 91841182) is N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide is CCn1nc(CNC(=O)CCNS(C)(=O)=O)c2ccccc21.
What is the InChIKey of N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide?
The InChIKey is QPWNNNPGMRZSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-3-18-13-7-5-4-6-11(13)12(17-18)10-15-14(19)8-9-16-22(2,20)21/h4-7,16H,3,8-10H2,1-2H3,(H,15,19).
What are the key properties of N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide?
N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide has a molecular weight of 324.41 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 91841182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).