N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C19H16N2O4S — CID 134046907

IUPACN-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccco1
InChIInChI=1S/C19H16N2O4S/c22-18(15-6-3-9-24-15)20-7-8-21-19(23)16-10-12-11-25-14-5-2-1-4-13(14)17(12)26-16/h1-6,9-10H,7-8,11H2,(H,20,22)(H,21,23)
InChIKeyWTSVOWMYJKCHIU-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.06
Rot. Bonds5

About N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 134046907) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID134046907
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccco1
InChIInChI=1S/C19H16N2O4S/c22-18(15-6-3-9-24-15)20-7-8-21-19(23)16-10-12-11-25-14-5-2-1-4-13(14)17(12)26-16/h1-6,9-10H,7-8,11H2,(H,20,22)(H,21,23)
InChIKeyWTSVOWMYJKCHIU-UHFFFAOYSA-N
XLogP3.06
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-hydroxybenzoyl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 60517158
N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27231274
N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27548315
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 31725309
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride
CID 120947984
4-[(4H-thieno[3,2-c]chromene-2-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120541595
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253197
2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119224142
N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 41187110
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 56517535
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 134046907) is N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide is O=C(NCCNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccco1.
What is the InChIKey of N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is WTSVOWMYJKCHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-18(15-6-3-9-24-15)20-7-8-21-19(23)16-10-12-11-25-14-5-2-1-4-13(14)17(12)26-16/h1-6,9-10H,7-8,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 134046907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).