N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide

C18H17FN2OS — CID 27802085

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCSc1ccc(F)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H17FN2OS/c19-14-6-8-15(9-7-14)23-11-3-10-20-18(22)17-12-13-4-1-2-5-16(13)21-17/h1-2,4-9,12,21H,3,10-11H2,(H,20,22)
InChIKeyXRBNBUPLPUSGEJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.22
Rot. Bonds6

About N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide (PubChem CID 27802085) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
PubChem CID27802085
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCSc1ccc(F)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H17FN2OS/c19-14-6-8-15(9-7-14)23-11-3-10-20-18(22)17-12-13-4-1-2-5-16(13)21-17/h1-2,4-9,12,21H,3,10-11H2,(H,20,22)
InChIKeyXRBNBUPLPUSGEJ-UHFFFAOYSA-N
XLogP4.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
CID 38572594
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207440
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-(2-benzylsulfanylethyl)-1H-indole-2-carboxamide
CID 9470319
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide (CID 27802085) is N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide is O=C(NCCCSc1ccc(F)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide?
The InChIKey is XRBNBUPLPUSGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-14-6-8-15(9-7-14)23-11-3-10-20-18(22)17-12-13-4-1-2-5-16(13)21-17/h1-2,4-9,12,21H,3,10-11H2,(H,20,22).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 27802085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).