N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C23H20N2O2S — CID 122175929

IUPACN-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)NCCc3c[nH]c4ccccc34)cc1CO2
InChIInChI=1S/C23H20N2O2S/c1-14-5-4-8-19-21(14)22-16(13-27-19)11-20(28-22)23(26)24-10-9-15-12-25-18-7-3-2-6-17(15)18/h2-8,11-12,25H,9-10,13H2,1H3,(H,24,26)
InChIKeyLVRJRZNPPMTYCN-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.07
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 122175929) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID122175929
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)NCCc3c[nH]c4ccccc34)cc1CO2
InChIInChI=1S/C23H20N2O2S/c1-14-5-4-8-19-21(14)22-16(13-27-19)11-20(28-22)23(26)24-10-9-15-12-25-18-7-3-2-6-17(15)18/h2-8,11-12,25H,9-10,13H2,1H3,(H,24,26)
InChIKeyLVRJRZNPPMTYCN-UHFFFAOYSA-N
XLogP5.07
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
3-{[3-(5-Fluoro-1H-indol-3-yl)propyl](propyl)amino}chromane-5-carboxamide
CID 44589076
N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877944
N-phenyl-5-(7-piperidin-4-yloxyisoquinolin-6-yl)thiophene-2-carboxamide
CID 44526918
8-{[3-(5-fluoro-1H-indol-3-yl)propyl]amino}-2,3,8,9-tetrahydropyrano[3,2-e]isoindol-1(7H)-one
CID 16092107
8-[[3-(5-fluoro-1H-indol-3-yl)propyl](methyl)amino]-2,3,8,9-tetrahydropyrano[3,2-e]isoindol-1(7H)-one
CID 46225165
8-[ethyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,7,8,9-tetrahydro-2H-pyrano[2,3-g]isoindol-1-one
CID 46225166
8-{[4-(5-fluoro-1H-indol-3-yl)butyl]amino}-2,3,8,9-tetrahydropyrano[3,2-e]isoindol-1(7H)-one
CID 46225310
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 70697161
5-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 155522361
N-Cyclohexyl-2-[(2-1H-indol-3-yl-acetyl)-(3-methoxy-benzyl)-amino]-2-thiophen-2-yl-acetamide
CID 3190924
2-Cyano-3-{1-[2-(2,5-dimethyl-phenoxy)-ethyl]-1H-indol-3-yl}-N-thiophen-2-ylmethyl-acrylamide
CID 5765815

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 122175929) is N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1cccc2c1-c1sc(C(=O)NCCc3c[nH]c4ccccc34)cc1CO2.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is LVRJRZNPPMTYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-14-5-4-8-19-21(14)22-16(13-27-19)11-20(28-22)23(26)24-10-9-15-12-25-18-7-3-2-6-17(15)18/h2-8,11-12,25H,9-10,13H2,1H3,(H,24,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.07, 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]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 122175929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).