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

C17H18N6O3S — CID 1454952

IUPACN-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide
SMILESCCCn1nnnc1SCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C17H18N6O3S/c1-2-8-23-17(20-21-22-23)27-11-15(24)18-12-5-3-6-13(10-12)19-16(25)14-7-4-9-26-14/h3-7,9-10H,2,8,11H2,1H3,(H,18,24)(H,19,25)
InChIKeyCEEAYTKWASDFCC-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.66
Rot. Bonds8

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

N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 1454952) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide
PubChem CID1454952
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC NameN-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide
SMILESCCCn1nnnc1SCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C17H18N6O3S/c1-2-8-23-17(20-21-22-23)27-11-15(24)18-12-5-3-6-13(10-12)19-16(25)14-7-4-9-26-14/h3-7,9-10H,2,8,11H2,1H3,(H,18,24)(H,19,25)
InChIKeyCEEAYTKWASDFCC-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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
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-{[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-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 24891966
N-[5-({[(4-acetamidophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 24892222
N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 4385470

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide (CID 1454952) is N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide is CCCn1nnnc1SCC(=O)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is CEEAYTKWASDFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-2-8-23-17(20-21-22-23)27-11-15(24)18-12-5-3-6-13(10-12)19-16(25)14-7-4-9-26-14/h3-7,9-10H,2,8,11H2,1H3,(H,18,24)(H,19,25).
What are the key properties of N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-propyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1454952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).