5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide

C18H17FN2OS — CID 38572594

IUPAC5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCSc1ccccc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H17FN2OS/c19-14-7-8-16-13(11-14)12-17(21-16)18(22)20-9-4-10-23-15-5-2-1-3-6-15/h1-3,5-8,11-12,21H,4,9-10H2,(H,20,22)
InChIKeyCOZZMFPPBAVRIP-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.22
Rot. Bonds6

About 5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide

5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide (PubChem CID 38572594) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
PubChem CID38572594
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCSc1ccccc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H17FN2OS/c19-14-7-8-16-13(11-14)12-17(21-16)18(22)20-9-4-10-23-15-5-2-1-3-6-15/h1-3,5-8,11-12,21H,4,9-10H2,(H,20,22)
InChIKeyCOZZMFPPBAVRIP-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

N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
CID 27802085
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207440
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
5-fluoro-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
CID 46555986
ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 37254903
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55757741
N-[4-(cyclohepten-1-yl)butyl]-5-fluoro-1H-indole-2-carboxamide
CID 143176250
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
CID 30860863
3-(5-fluoro-1H-indol-2-yl)-3-oxopropanoic acid
CID 170886871

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide (CID 38572594) is 5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide is O=C(NCCCSc1ccccc1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide?
The InChIKey is COZZMFPPBAVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-14-7-8-16-13(11-14)12-17(21-16)18(22)20-9-4-10-23-15-5-2-1-3-6-15/h1-3,5-8,11-12,21H,4,9-10H2,(H,20,22).
What are the key properties of 5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide?
5-fluoro-N-(3-phenylsulfanylpropyl)-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 5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 38572594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).