N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide

C18H19N3O3S2 — CID 75367316

IUPACN-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccc(-c2cn3c(n2)CO[C@@H](CNS(=O)(=O)c2cccs2)C3)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13-4-6-14(7-5-13)16-11-21-10-15(24-12-17(21)20-16)9-19-26(22,23)18-3-2-8-25-18/h2-8,11,15,19H,9-10,12H2,1H3/t15-/m0/s1
InChIKeyPWVXTTPCNUFGLJ-HNNXBMFYSA-N
MW389.50 g/mol
LogP2.80
Rot. Bonds5

About N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide

N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide (PubChem CID 75367316) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide
PubChem CID75367316
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccc(-c2cn3c(n2)CO[C@@H](CNS(=O)(=O)c2cccs2)C3)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13-4-6-14(7-5-13)16-11-21-10-15(24-12-17(21)20-16)9-19-26(22,23)18-3-2-8-25-18/h2-8,11,15,19H,9-10,12H2,1H3/t15-/m0/s1
InChIKeyPWVXTTPCNUFGLJ-HNNXBMFYSA-N
XLogP2.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide (CID 75367316) is N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide is Cc1ccc(-c2cn3c(n2)CO[C@@H](CNS(=O)(=O)c2cccs2)C3)cc1.
What is the InChIKey of N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is PWVXTTPCNUFGLJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-13-4-6-14(7-5-13)16-11-21-10-15(24-12-17(21)20-16)9-19-26(22,23)18-3-2-8-25-18/h2-8,11,15,19H,9-10,12H2,1H3/t15-/m0/s1.
What are the key properties of N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide?
N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 389.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 75367316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).