N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C18H23N3OS — CID 74240719

IUPACN-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NCCSc1ccccc1
InChIInChI=1S/C18H23N3OS/c22-18(19-12-13-23-14-6-2-1-3-7-14)11-10-17-15-8-4-5-9-16(15)20-21-17/h1-3,6-7H,4-5,8-13H2,(H,19,22)(H,20,21)
InChIKeyVROQQKOFIYDLMZ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.13
Rot. Bonds7

About N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 74240719) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID74240719
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NCCSc1ccccc1
InChIInChI=1S/C18H23N3OS/c22-18(19-12-13-23-14-6-2-1-3-7-14)11-10-17-15-8-4-5-9-16(15)20-21-17/h1-3,6-7H,4-5,8-13H2,(H,19,22)(H,20,21)
InChIKeyVROQQKOFIYDLMZ-UHFFFAOYSA-N
XLogP3.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131925742
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 136663690
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 91831552
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 118788666
3-(4-aminophenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 61117437
N-(2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131942976
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 74248623
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide
CID 91835698
1-(3-pyridin-2-ylazetidin-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 56901930
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 50977335
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 9483144

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 74240719) is N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is O=C(CCc1n[nH]c2c1CCCC2)NCCSc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is VROQQKOFIYDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c22-18(19-12-13-23-14-6-2-1-3-7-14)11-10-17-15-8-4-5-9-16(15)20-21-17/h1-3,6-7H,4-5,8-13H2,(H,19,22)(H,20,21).
What are the key properties of N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 329.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 74240719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).