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

C19H14ClNO3S — CID 7473029

IUPACN-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1Cl
InChIInChI=1S/C19H14ClNO3S/c1-23-16-7-6-12(9-14(16)20)21-19(22)17-8-11-10-24-15-5-3-2-4-13(15)18(11)25-17/h2-9H,10H2,1H3,(H,21,22)
InChIKeyRBCOIEHZBFLATE-UHFFFAOYSA-N
MW371.85 g/mol
LogP5.22
Rot. Bonds3

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

N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 7473029) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID7473029
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1Cl
InChIInChI=1S/C19H14ClNO3S/c1-23-16-7-6-12(9-14(16)20)21-19(22)17-8-11-10-24-15-5-3-2-4-13(15)18(11)25-17/h2-9H,10H2,1H3,(H,21,22)
InChIKeyRBCOIEHZBFLATE-UHFFFAOYSA-N
XLogP5.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.85
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 51154942
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55332902
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599
N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 34400383
N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134019153
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 26522788
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170
(5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253094
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7620800
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 7473029) is N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is COc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is RBCOIEHZBFLATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c1-23-16-7-6-12(9-14(16)20)21-19(22)17-8-11-10-24-15-5-3-2-4-13(15)18(11)25-17/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 7473029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).