N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide

C21H18N2O4S — CID 51154942

IUPACN-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C21H18N2O4S/c1-12(24)22-14-7-8-18(26-2)16(10-14)23-21(25)19-9-13-11-27-17-6-4-3-5-15(17)20(13)28-19/h3-10H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMTVKBKSBNPAVTL-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.53
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 51154942) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID51154942
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C21H18N2O4S/c1-12(24)22-14-7-8-18(26-2)16(10-14)23-21(25)19-9-13-11-27-17-6-4-3-5-15(17)20(13)28-19/h3-10H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMTVKBKSBNPAVTL-UHFFFAOYSA-N
XLogP4.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 7473029
N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134019153
[2-(4-acetamidoanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 16512837
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55332902
N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 26522788
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 35875668
N-[3-(diethylcarbamoyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 34400383
N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877839
N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 41187110
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7620800
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 51154942) is N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is MTVKBKSBNPAVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-12(24)22-14-7-8-18(26-2)16(10-14)23-21(25)19-9-13-11-27-17-6-4-3-5-15(17)20(13)28-19/h3-10H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 51154942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).