N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide

C23H25N3OS — CID 46402155

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C23H25N3OS/c27-23(14-15-28-19-10-5-2-6-11-19)25-21-12-7-13-22-20(21)16-24-26(22)17-18-8-3-1-4-9-18/h1-6,8-11,16,21H,7,12-15,17H2,(H,25,27)
InChIKeyULJNYKDLGXJHPF-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.61
Rot. Bonds7

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide (PubChem CID 46402155) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
PubChem CID46402155
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C23H25N3OS/c27-23(14-15-28-19-10-5-2-6-11-19)25-21-12-7-13-22-20(21)16-24-26(22)17-18-8-3-1-4-9-18/h1-6,8-11,16,21H,7,12-15,17H2,(H,25,27)
InChIKeyULJNYKDLGXJHPF-UHFFFAOYSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide
CID 167746657
3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 110236779
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 55622470
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(3,4-dimethylphenoxy)propanamide
CID 31901256
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55624911
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110236796
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55637955
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 110236789
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46424726

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide (CID 46402155) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NC1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide?
The InChIKey is ULJNYKDLGXJHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-23(14-15-28-19-10-5-2-6-11-19)25-21-12-7-13-22-20(21)16-24-26(22)17-18-8-3-1-4-9-18/h1-6,8-11,16,21H,7,12-15,17H2,(H,25,27).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide has a molecular weight of 391.54 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 46402155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).