4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide

C19H22N2O3S — CID 9145507

IUPAC4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1CC
InChIInChI=1S/C19H22N2O3S/c1-4-6-16-12(5-2)9-17(25-16)19(23)20-13-7-8-15-14(10-13)21-18(22)11(3)24-15/h7-11H,4-6H2,1-3H3,(H,20,23)(H,21,22)/t11-/m1/s1
InChIKeyQQIXVBSYFOTAFA-LLVKDONJSA-N
MW358.46 g/mol
LogP4.23
Rot. Bonds5

About 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide

4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide (PubChem CID 9145507) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide
PubChem CID9145507
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1CC
InChIInChI=1S/C19H22N2O3S/c1-4-6-16-12(5-2)9-17(25-16)19(23)20-13-7-8-15-14(10-13)21-18(22)11(3)24-15/h7-11H,4-6H2,1-3H3,(H,20,23)(H,21,22)/t11-/m1/s1
InChIKeyQQIXVBSYFOTAFA-LLVKDONJSA-N
XLogP4.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide with MolForge

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Related Compounds

5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 18090671
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
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]propanamide
CID 42506170
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
4-(4-fluorophenyl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 102559387
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
4-(diethylamino)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40973912
3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 46616611

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide (CID 9145507) is 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1CC.
What is the InChIKey of 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide?
The InChIKey is QQIXVBSYFOTAFA-LLVKDONJSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-6-16-12(5-2)9-17(25-16)19(23)20-13-7-8-15-14(10-13)21-18(22)11(3)24-15/h7-11H,4-6H2,1-3H3,(H,20,23)(H,21,22)/t11-/m1/s1.
What are the key properties of 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide?
4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 9145507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).