6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C16H17NO3S — CID 22578255

IUPAC6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)NCc1cccs1)CO2
InChIInChI=1S/C16H17NO3S/c1-19-13-4-5-15-11(8-13)7-12(10-20-15)16(18)17-9-14-3-2-6-21-14/h2-6,8,12H,7,9-10H2,1H3,(H,17,18)
InChIKeyFVEQPIIJPHQKJB-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.62
Rot. Bonds4

About 6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 22578255) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID22578255
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)NCc1cccs1)CO2
InChIInChI=1S/C16H17NO3S/c1-19-13-4-5-15-11(8-13)7-12(10-20-15)16(18)17-9-14-3-2-6-21-14/h2-6,8,12H,7,9-10H2,1H3,(H,17,18)
InChIKeyFVEQPIIJPHQKJB-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
(3R)-7-methoxy-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279476
(3R)-6-methoxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97120936
6-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46968995
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 70743872
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
(3S)-6-chloro-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9088165
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
(3R)-6-methoxy-N-[(1-phenyltetrazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99978340

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 22578255) is 6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)NCc1cccs1)CO2.
What is the InChIKey of 6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FVEQPIIJPHQKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-19-13-4-5-15-11(8-13)7-12(10-20-15)16(18)17-9-14-3-2-6-21-14/h2-6,8,12H,7,9-10H2,1H3,(H,17,18).
What are the key properties of 6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).