N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide

C19H17NO4S — CID 91778738

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC(c1cccs1)C1CC(O)C1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H17NO4S/c21-12-8-11(9-12)18(17-6-3-7-25-17)20-19(23)16-10-14(22)13-4-1-2-5-15(13)24-16/h1-7,10-12,18,21H,8-9H2,(H,20,23)
InChIKeyMQHYYULKPFDMEC-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.10
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide (PubChem CID 91778738) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide
PubChem CID91778738
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC(c1cccs1)C1CC(O)C1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H17NO4S/c21-12-8-11(9-12)18(17-6-3-7-25-17)20-19(23)16-10-14(22)13-4-1-2-5-15(13)24-16/h1-7,10-12,18,21H,8-9H2,(H,20,23)
InChIKeyMQHYYULKPFDMEC-UHFFFAOYSA-N
XLogP3.10
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 42896547
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 91796184
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide
CID 91776302
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
CID 91782379
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
CID 47102362
5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91795552
4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 61244550
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide
CID 61246614
(2R)-4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 107822689
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide
CID 91762894
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
CID 91764411

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide (CID 91778738) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide is O=C(NC(c1cccs1)C1CC(O)C1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide?
The InChIKey is MQHYYULKPFDMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-12-8-11(9-12)18(17-6-3-7-25-17)20-19(23)16-10-14(22)13-4-1-2-5-15(13)24-16/h1-7,10-12,18,21H,8-9H2,(H,20,23).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 91778738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).