1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide

C15H18N4O4S — CID 75396741

IUPAC1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)nc1C
InChIInChI=1S/C15H18N4O4S/c1-4-19-8-14(16-10(19)3)24(21,22)18-11-5-6-13-12(7-11)17-15(20)9(2)23-13/h5-9,18H,4H2,1-3H3,(H,17,20)
InChIKeyGBYUWSRKWGRELK-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.73
Rot. Bonds4

About 1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide

1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide (PubChem CID 75396741) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide
PubChem CID75396741
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)nc1C
InChIInChI=1S/C15H18N4O4S/c1-4-19-8-14(16-10(19)3)24(21,22)18-11-5-6-13-12(7-11)17-15(20)9(2)23-13/h5-9,18H,4H2,1-3H3,(H,17,20)
InChIKeyGBYUWSRKWGRELK-UHFFFAOYSA-N
XLogP1.73
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide
CID 10808841
N-(3-(1H-imidazol-1-yl)propyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonamide
CID 46962897
(S)-1,1,1-trifluoro-2-methylpropan-2-yl (4-((4-fluorophenyl)sulfonyl)-2-((1-methyl-1H-imidazole-4-sulfonamido)methyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)carbamate
CID 118180815
(S)-1,1,1-trifluoro-2-methylpropan-2-yl (2-(acetamidomethyl)-4-(imidazo[1,2-a]pyridin-3-ylsulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)carbamate
CID 118181062
2,2,2-trifluoro-1,1-dimethylethyl {(2S)-2-[(acetylamino)methyl]-4-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl}carbamate
CID 122627488
N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide
CID 6491904
N~1~-(2-ethoxyphenyl)-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 16195326
1-(2-methoxyphenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 20958594
6-{[(3-imidazolylpropyl)amino]sulfonyl}-2-methyl-2H,4H-benzo[e]1,4-oxazaperhyd roin-3-one
CID 24208135
1-[(1-ethyl-1H-imidazol-4-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53085455
N-(4-ethoxyphenyl)-1-[(1-ethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 53085473
N-(2,4-Dimethoxyphenyl)-1-{[1-(propan-2-YL)-1H-imidazol-4-YL]sulfonyl}piperidine-4-carboxamide
CID 53085531

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide (CID 75396741) is 1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide?
The InChIKey is GBYUWSRKWGRELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-4-19-8-14(16-10(19)3)24(21,22)18-11-5-6-13-12(7-11)17-15(20)9(2)23-13/h5-9,18H,4H2,1-3H3,(H,17,20).
What are the key properties of 1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide has a molecular weight of 350.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 75396741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).