N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide

C21H18ClNO2S — CID 20877896

IUPACN-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccc(Cl)c1
InChIInChI=1S/C21H18ClNO2S/c1-2-10-23(16-7-5-6-15(22)12-16)21(24)19-11-14-13-25-18-9-4-3-8-17(18)20(14)26-19/h3-9,11-12H,2,10,13H2,1H3
InChIKeyGZPVAQDGLKASCP-UHFFFAOYSA-N
MW383.90 g/mol
LogP6.02
Rot. Bonds4

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

N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877896) has the molecular formula C21H18ClNO2S and a molecular weight of 383.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877896
Molecular FormulaC21H18ClNO2S
Molecular Weight383.90 g/mol
Exact Mass383.07
IUPAC NameN-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccc(Cl)c1
InChIInChI=1S/C21H18ClNO2S/c1-2-10-23(16-7-5-6-15(22)12-16)21(24)19-11-14-13-25-18-9-4-3-8-17(18)20(14)26-19/h3-9,11-12H,2,10,13H2,1H3
InChIKeyGZPVAQDGLKASCP-UHFFFAOYSA-N
XLogP6.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877896) is N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide is CCCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is GZPVAQDGLKASCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2S/c1-2-10-23(16-7-5-6-15(22)12-16)21(24)19-11-14-13-25-18-9-4-3-8-17(18)20(14)26-19/h3-9,11-12H,2,10,13H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 383.90 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).