N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide

C17H18N6O3S — CID 648605

IUPACN-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1
InChIInChI=1S/C17H18N6O3S/c1-2-15(24)19-12-5-3-6-13(9-12)23-17(20-21-22-23)27-11-16(25)18-10-14-7-4-8-26-14/h3-9H,2,10-11H2,1H3,(H,18,25)(H,19,24)
InChIKeyHBSZGEOYDZSDDY-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.01
Rot. Bonds8

About N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide

N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide (PubChem CID 648605) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide
PubChem CID648605
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC NameN-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1
InChIInChI=1S/C17H18N6O3S/c1-2-15(24)19-12-5-3-6-13(9-12)23-17(20-21-22-23)27-11-16(25)18-10-14-7-4-8-26-14/h3-9H,2,10-11H2,1H3,(H,18,25)(H,19,24)
InChIKeyHBSZGEOYDZSDDY-UHFFFAOYSA-N
XLogP2.01
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-(4-Fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide
CID 1080944
N-({[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N'-methylurea
CID 990336
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029
N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 649855
Furan-2-carboxylic acid {3-[2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 646208
2-(5-Cyclohexyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 648868
Furan-2-carboxylic acid (3-{2-[1-(3,5-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-phenyl)-amide
CID 652737
Furan-2-carboxylic acid {3-[2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 654638
N-Furan-2-ylmethyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 673910
N,N-Diethyl-2-{5-[(4-fluoro-phenylamino)-methyl]-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
CID 1154953
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2083314
2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2086059

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide (CID 648605) is N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1.
What is the InChIKey of N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide?
The InChIKey is HBSZGEOYDZSDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-2-15(24)19-12-5-3-6-13(9-12)23-17(20-21-22-23)27-11-16(25)18-10-14-7-4-8-26-14/h3-9H,2,10-11H2,1H3,(H,18,25)(H,19,24).
What are the key properties of N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide?
N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide has a molecular weight of 386.44 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide is sourced from PubChem (CID 648605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).