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

C21H19NO3S — CID 27548315

IUPACN-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1
InChIInChI=1S/C21H19NO3S/c1-24-16-8-6-14(7-9-16)10-11-22-21(23)19-12-15-13-25-18-5-3-2-4-17(18)20(15)26-19/h2-9,12H,10-11,13H2,1H3,(H,22,23)
InChIKeyAXOBEQFIZVVQED-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.29
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 27548315) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID27548315
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1
InChIInChI=1S/C21H19NO3S/c1-24-16-8-6-14(7-9-16)10-11-22-21(23)19-12-15-13-25-18-5-3-2-4-17(18)20(15)26-19/h2-9,12H,10-11,13H2,1H3,(H,22,23)
InChIKeyAXOBEQFIZVVQED-UHFFFAOYSA-N
XLogP4.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27231274
N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134046907
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 60517158
N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877839
N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 41187110
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24538278
N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 31725309
8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 46082980
4-[(4H-thieno[3,2-c]chromene-2-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120541595
N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 7473029
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride
CID 120947984

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 27548315) is N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide is COc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is AXOBEQFIZVVQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-24-16-8-6-14(7-9-16)10-11-22-21(23)19-12-15-13-25-18-5-3-2-4-17(18)20(15)26-19/h2-9,12H,10-11,13H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 27548315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).