N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide

C19H20N6O3S — CID 654638

IUPACN-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CSc1nnnn1C1CCCC1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H20N6O3S/c26-17(12-29-19-22-23-24-25(19)15-7-1-2-8-15)20-13-5-3-6-14(11-13)21-18(27)16-9-4-10-28-16/h3-6,9-11,15H,1-2,7-8,12H2,(H,20,26)(H,21,27)
InChIKeyPFVDLDJTAIFSSK-UHFFFAOYSA-N
MW412.48 g/mol
LogP3.36
Rot. Bonds7

About N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 654638) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide
PubChem CID654638
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC NameN-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CSc1nnnn1C1CCCC1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H20N6O3S/c26-17(12-29-19-22-23-24-25(19)15-7-1-2-8-15)20-13-5-3-6-14(11-13)21-18(27)16-9-4-10-28-16/h3-6,9-11,15H,1-2,7-8,12H2,(H,20,26)(H,21,27)
InChIKeyPFVDLDJTAIFSSK-UHFFFAOYSA-N
XLogP3.36
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
Furan-2-carboxylic acid (3-{2-[1-(3,5-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-phenyl)-amide
CID 652737
N-Furan-2-ylmethyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 673910
N-{[4-allyl-5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]methyl}-2-furamide
CID 1262218
N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621198
Furan-2-carboxylic acid (3-{2-[1-(4-acetyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-phenyl)-amide
CID 3213522
N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 4385470
N-(3-Acetylamino-phenyl)-2-(4-ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1442455
N-[[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 2239281
N-[4-[5-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide
CID 3212991

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide (CID 654638) is N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide is O=C(CSc1nnnn1C1CCCC1)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is PFVDLDJTAIFSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c26-17(12-29-19-22-23-24-25(19)15-7-1-2-8-15)20-13-5-3-6-14(11-13)21-18(27)16-9-4-10-28-16/h3-6,9-11,15H,1-2,7-8,12H2,(H,20,26)(H,21,27).
What are the key properties of N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 654638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).