N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide

C17H17N3O4S — CID 171911612

IUPACN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
SMILESCc1nnsc1CN(C)C(=O)C(C)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H17N3O4S/c1-10-15(25-19-18-10)9-20(3)17(22)11(2)23-13-6-4-12-5-7-16(21)24-14(12)8-13/h4-8,11H,9H2,1-3H3
InChIKeyIGLBDBRVXCLZPZ-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.38
Rot. Bonds5

About N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide

N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide (PubChem CID 171911612) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
PubChem CID171911612
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
SMILESCc1nnsc1CN(C)C(=O)C(C)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H17N3O4S/c1-10-15(25-19-18-10)9-20(3)17(22)11(2)23-13-6-4-12-5-7-16(21)24-14(12)8-13/h4-8,11H,9H2,1-3H3
InChIKeyIGLBDBRVXCLZPZ-UHFFFAOYSA-N
XLogP2.38
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564420
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 171388910
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
7-(6-methylheptan-2-yloxy)chromen-2-one
CID 71536949
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 171389849
(2-oxochromen-7-yl) (2S)-2-(3-methylphenoxy)propanoate
CID 7920894
7-(4-methylhexan-3-yloxy)chromen-2-one
CID 71536673
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 171910820
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
CID 58773020
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide (CID 171911612) is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide is Cc1nnsc1CN(C)C(=O)C(C)Oc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide?
The InChIKey is IGLBDBRVXCLZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-10-15(25-19-18-10)9-20(3)17(22)11(2)23-13-6-4-12-5-7-16(21)24-14(12)8-13/h4-8,11H,9H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide?
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide has a molecular weight of 359.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 171911612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).