5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide

C15H14N2O3S — CID 18090671

IUPAC5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)s1
InChIInChI=1S/C15H14N2O3S/c1-8-3-6-13(21-8)15(19)16-10-4-5-12-11(7-10)17-14(18)9(2)20-12/h3-7,9H,1-2H3,(H,16,19)(H,17,18)
InChIKeyYBYGNCJQDAVMQV-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.03
Rot. Bonds2

About 5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide

5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide (PubChem CID 18090671) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
PubChem CID18090671
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)s1
InChIInChI=1S/C15H14N2O3S/c1-8-3-6-13(21-8)15(19)16-10-4-5-12-11(7-10)17-14(18)9(2)20-12/h3-7,9H,1-2H3,(H,16,19)(H,17,18)
InChIKeyYBYGNCJQDAVMQV-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiophene-2-carboxamide
CID 9147957
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 46616611
4-(4-fluorophenyl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 102559387
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9145336
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide
CID 9145507
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 9145501
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 43018348
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide (CID 18090671) is 5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)s1.
What is the InChIKey of 5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide?
The InChIKey is YBYGNCJQDAVMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-8-3-6-13(21-8)15(19)16-10-4-5-12-11(7-10)17-14(18)9(2)20-12/h3-7,9H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide?
5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18090671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).