3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

C14H11BrN2OS2 — CID 8544238

IUPAC3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
SMILESN#Cc1ccsc1NC(=O)CCSc1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2OS2/c15-11-1-3-12(4-2-11)19-8-6-13(18)17-14-10(9-16)5-7-20-14/h1-5,7H,6,8H2,(H,17,18)
InChIKeyZXNUUBVJDKUNIM-UHFFFAOYSA-N
MW367.29 g/mol
LogP4.50
Rot. Bonds5

About 3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide (PubChem CID 8544238) has the molecular formula C14H11BrN2OS2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
PubChem CID8544238
Molecular FormulaC14H11BrN2OS2
Molecular Weight367.29 g/mol
Exact Mass365.95
IUPAC Name3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
SMILESN#Cc1ccsc1NC(=O)CCSc1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2OS2/c15-11-1-3-12(4-2-11)19-8-6-13(18)17-14-10(9-16)5-7-20-14/h1-5,7H,6,8H2,(H,17,18)
InChIKeyZXNUUBVJDKUNIM-UHFFFAOYSA-N
XLogP4.50
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 9042639
N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 8907694
N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8759941
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8855148
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
CID 17428824
3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 66220996
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 115279669
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 79147880
(4-chlorophenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylazanium
CID 9040917
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate
CID 7742987

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide (CID 8544238) is 3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide is N#Cc1ccsc1NC(=O)CCSc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The InChIKey is ZXNUUBVJDKUNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS2/c15-11-1-3-12(4-2-11)19-8-6-13(18)17-14-10(9-16)5-7-20-14/h1-5,7H,6,8H2,(H,17,18).
What are the key properties of 3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide has a molecular weight of 367.29 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide is sourced from PubChem (CID 8544238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).