N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide

C19H19N5O2S — CID 127499899

IUPACN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1CC2(CCCC2)Oc2ccccc21)c1sccc1-n1cnnn1
InChIInChI=1S/C19H19N5O2S/c25-18(17-15(7-10-27-17)24-12-20-22-23-24)21-14-11-19(8-3-4-9-19)26-16-6-2-1-5-13(14)16/h1-2,5-7,10,12,14H,3-4,8-9,11H2,(H,21,25)
InChIKeyILTIREXZSSRGHD-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.29
Rot. Bonds3

About N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 127499899) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID127499899
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1CC2(CCCC2)Oc2ccccc21)c1sccc1-n1cnnn1
InChIInChI=1S/C19H19N5O2S/c25-18(17-15(7-10-27-17)24-12-20-22-23-24)21-14-11-19(8-3-4-9-19)26-16-6-2-1-5-13(14)16/h1-2,5-7,10,12,14H,3-4,8-9,11H2,(H,21,25)
InChIKeyILTIREXZSSRGHD-UHFFFAOYSA-N
XLogP3.29
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 110903617
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97083335
N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 112821163
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 62520559
2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide
CID 99996343
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
CID 119815673
4-methoxy-N-[(Z)-3-oxo-3-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]amino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100764500
N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 62491426
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963

Frequently Asked Questions

What is the IUPAC name of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 127499899) is N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(NC1CC2(CCCC2)Oc2ccccc21)c1sccc1-n1cnnn1.
What is the InChIKey of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is ILTIREXZSSRGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-18(17-15(7-10-27-17)24-12-20-22-23-24)21-14-11-19(8-3-4-9-19)26-16-6-2-1-5-13(14)16/h1-2,5-7,10,12,14H,3-4,8-9,11H2,(H,21,25).
What are the key properties of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 127499899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).