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

C22H23NO4S — CID 20877976

IUPACN-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H23NO4S/c1-2-25-11-6-10-23(14-17-7-5-12-26-17)22(24)20-13-16-15-27-19-9-4-3-8-18(19)21(16)28-20/h3-5,7-9,12-13H,2,6,10-11,14-15H2,1H3
InChIKeyLSDSXMUVNSTBKJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.97
Rot. Bonds8

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

N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877976) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877976
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H23NO4S/c1-2-25-11-6-10-23(14-17-7-5-12-26-17)22(24)20-13-16-15-27-19-9-4-3-8-18(19)21(16)28-20/h3-5,7-9,12-13H,2,6,10-11,14-15H2,1H3
InChIKeyLSDSXMUVNSTBKJ-UHFFFAOYSA-N
XLogP4.97
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602503
methyl 3-[benzyl(4H-thieno[3,2-c]chromene-2-carbonyl)amino]propanoate
CID 55513902
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253197
4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46257034
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 134059712
3-[propan-2-yl(4H-thieno[3,2-c]chromene-2-carbonyl)amino]propanoic acid
CID 119207717
7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602895
N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877896
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-2-thiophen-2-ylacetamide
CID 42773471
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-(3-ethoxypropyl)benzamide
CID 3550859
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516668
N-(4-bromophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877904

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877976) is N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide is CCOCCCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is LSDSXMUVNSTBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-2-25-11-6-10-23(14-17-7-5-12-26-17)22(24)20-13-16-15-27-19-9-4-3-8-18(19)21(16)28-20/h3-5,7-9,12-13H,2,6,10-11,14-15H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).