1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine

C15H17BrClNS2 — CID 66144182

IUPAC1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSc1ccc(Cl)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C15H17BrClNS2/c1-2-18-13(8-15-7-11(16)9-19-15)10-20-14-5-3-12(17)4-6-14/h3-7,9,13,18H,2,8,10H2,1H3
InChIKeyQANTVYRHVPHJDM-UHFFFAOYSA-N
MW390.80 g/mol
LogP5.48
Rot. Bonds7

About 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine

1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine (PubChem CID 66144182) has the molecular formula C15H17BrClNS2 and a molecular weight of 390.80 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
PubChem CID66144182
Molecular FormulaC15H17BrClNS2
Molecular Weight390.80 g/mol
Exact Mass388.97
IUPAC Name1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSc1ccc(Cl)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C15H17BrClNS2/c1-2-18-13(8-15-7-11(16)9-19-15)10-20-14-5-3-12(17)4-6-14/h3-7,9,13,18H,2,8,10H2,1H3
InChIKeyQANTVYRHVPHJDM-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.80
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 62691752
1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine
CID 66161598
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
CID 63412914
1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
CID 66144962
1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 62605541
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197753
1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162227
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736457
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
CID 62604703
3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine
CID 66144184

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine (CID 66144182) is 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine is CCNC(CSc1ccc(Cl)cc1)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine?
The InChIKey is QANTVYRHVPHJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS2/c1-2-18-13(8-15-7-11(16)9-19-15)10-20-14-5-3-12(17)4-6-14/h3-7,9,13,18H,2,8,10H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine?
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine has a molecular weight of 390.80 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 66144182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).