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

C21H18ClNO2S — CID 20877755

IUPACN-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(s1)-c1c(C)cccc1OC2)c1cccc(Cl)c1
InChIInChI=1S/C21H18ClNO2S/c1-3-23(16-8-5-7-15(22)11-16)21(24)18-10-14-12-25-17-9-4-6-13(2)19(17)20(14)26-18/h4-11H,3,12H2,1-2H3
InChIKeyXVQSHZUFWMEWFT-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.94
Rot. Bonds3

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

N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877755) has the molecular formula C21H18ClNO2S and a molecular weight of 383.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877755
Molecular FormulaC21H18ClNO2S
Molecular Weight383.90 g/mol
Exact Mass383.07
IUPAC NameN-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(s1)-c1c(C)cccc1OC2)c1cccc(Cl)c1
InChIInChI=1S/C21H18ClNO2S/c1-3-23(16-8-5-7-15(22)11-16)21(24)18-10-14-12-25-17-9-4-6-13(2)19(17)20(14)26-18/h4-11H,3,12H2,1-2H3
InChIKeyXVQSHZUFWMEWFT-UHFFFAOYSA-N
XLogP5.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877896
9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877782
N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877826
9-methyl-N-(3-morpholin-4-ylpropyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877717
N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877708
9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877802
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877747
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877800
methyl 6-[(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)amino]-1,3-benzodioxole-5-carboxylate
CID 20877822
[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone
CID 20877739
N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 107736172
4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 113221701

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877755) is N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is CCN(C(=O)c1cc2c(s1)-c1c(C)cccc1OC2)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is XVQSHZUFWMEWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2S/c1-3-23(16-8-5-7-15(22)11-16)21(24)18-10-14-12-25-17-9-4-6-13(2)19(17)20(14)26-18/h4-11H,3,12H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 383.90 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).