N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide

C14H13BrFNOS2 — CID 33170874

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C14H13BrFNOS2/c15-13-6-5-12(20-13)9-17-14(18)7-8-19-11-3-1-10(16)2-4-11/h1-6H,7-9H2,(H,17,18)
InChIKeyQXQOMLMGALPCBW-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.45
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide

N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 33170874) has the molecular formula C14H13BrFNOS2 and a molecular weight of 374.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID33170874
Molecular FormulaC14H13BrFNOS2
Molecular Weight374.30 g/mol
Exact Mass372.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C14H13BrFNOS2/c15-13-6-5-12(20-13)9-17-14(18)7-8-19-11-3-1-10(16)2-4-11/h1-6H,7-9H2,(H,17,18)
InChIKeyQXQOMLMGALPCBW-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide (CID 33170874) is N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(F)cc1)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is QXQOMLMGALPCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS2/c15-13-6-5-12(20-13)9-17-14(18)7-8-19-11-3-1-10(16)2-4-11/h1-6H,7-9H2,(H,17,18).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide?
N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 374.30 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 33170874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).