N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C22H18N2O2S — CID 6620009

IUPACN-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H18N2O2S/c25-22(23-10-9-14-12-24-18-7-3-1-5-16(14)18)20-11-15-13-26-19-8-4-2-6-17(19)21(15)27-20/h1-8,11-12,24H,9-10,13H2,(H,23,25)
InChIKeyQIWBRDHDZWRXSM-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.76
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 6620009) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID6620009
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H18N2O2S/c25-22(23-10-9-14-12-24-18-7-3-1-5-16(14)18)20-11-15-13-26-19-8-4-2-6-17(19)21(15)27-20/h1-8,11-12,24H,9-10,13H2,(H,23,25)
InChIKeyQIWBRDHDZWRXSM-UHFFFAOYSA-N
XLogP4.76
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45176114
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647567
5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin-3-yl)-3-(thiophen-2-yl)indolin-2-one
CID 45482466
N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877944
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11416598
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CID 137649617
N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
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N-Cyclohexyl-2-[(2-1H-indol-3-yl-acetyl)-thiophen-2-ylmethyl-amino]-2-(4-methoxy-phenyl)-acetamide
CID 3190738
N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 3943571
2-Cyano-3-{1-[2-(2,5-dimethyl-phenoxy)-ethyl]-1H-indol-3-yl}-N-thiophen-2-ylmethyl-acrylamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 6620009) is N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is QIWBRDHDZWRXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-22(23-10-9-14-12-24-18-7-3-1-5-16(14)18)20-11-15-13-26-19-8-4-2-6-17(19)21(15)27-20/h1-8,11-12,24H,9-10,13H2,(H,23,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 6620009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).