3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

C15H11ClN6OS2 — CID 8859584

IUPAC3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
SMILESN#Cc1ccsc1NC(=O)CCSc1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN6OS2/c16-11-2-1-3-12(8-11)22-15(19-20-21-22)25-7-5-13(23)18-14-10(9-17)4-6-24-14/h1-4,6,8H,5,7H2,(H,18,23)
InChIKeyIHBBTQPMBDZXHF-UHFFFAOYSA-N
MW390.88 g/mol
LogP3.37
Rot. Bonds6

About 3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide (PubChem CID 8859584) has the molecular formula C15H11ClN6OS2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
PubChem CID8859584
Molecular FormulaC15H11ClN6OS2
Molecular Weight390.88 g/mol
Exact Mass390.01
IUPAC Name3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
SMILESN#Cc1ccsc1NC(=O)CCSc1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN6OS2/c16-11-2-1-3-12(8-11)22-15(19-20-21-22)25-7-5-13(23)18-14-10(9-17)4-6-24-14/h1-4,6,8H,5,7H2,(H,18,23)
InChIKeyIHBBTQPMBDZXHF-UHFFFAOYSA-N
XLogP3.37
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46683618
N-(3-cyanothiophen-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2615682
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 27653235
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
CID 17437726
N-(3-chlorophenyl)-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 52546871
N-(5-chloro-2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23775373
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23889543
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyanophenyl)propanamide
CID 8859071
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
CID 4584339
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 9061735

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The IUPAC name of 3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide (CID 8859584) is 3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide.
What is the SMILES notation for 3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The canonical SMILES for 3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide is N#Cc1ccsc1NC(=O)CCSc1nnnn1-c1cccc(Cl)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The InChIKey is IHBBTQPMBDZXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6OS2/c16-11-2-1-3-12(8-11)22-15(19-20-21-22)25-7-5-13(23)18-14-10(9-17)4-6-24-14/h1-4,6,8H,5,7H2,(H,18,23).
What are the key properties of 3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide has a molecular weight of 390.88 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide is sourced from PubChem (CID 8859584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).