N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C18H22N4O4S — CID 55729172

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cn1
InChIInChI=1S/C18H22N4O4S/c1-4-22(5-2)17-9-6-13(11-19-17)12-20-27(24,25)14-7-8-15-16(10-14)26-18(23)21(15)3/h6-11,20H,4-5,12H2,1-3H3
InChIKeyWXALGURCMFZIGP-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.85
Rot. Bonds7

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 55729172) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID55729172
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cn1
InChIInChI=1S/C18H22N4O4S/c1-4-22(5-2)17-9-6-13(11-19-17)12-20-27(24,25)14-7-8-15-16(10-14)26-18(23)21(15)3/h6-11,20H,4-5,12H2,1-3H3
InChIKeyWXALGURCMFZIGP-UHFFFAOYSA-N
XLogP1.85
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide
CID 55729077
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-(2-aminobutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63730962
3-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122274699
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110733980
N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119989748
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
N-[3-(dipropylamino)propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 3242629
N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478
3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 70738904
3-methyl-N-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide
CID 20969632
N-(2,3-dihydroxypropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 66176261

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 55729172) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is WXALGURCMFZIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-4-22(5-2)17-9-6-13(11-19-17)12-20-27(24,25)14-7-8-15-16(10-14)26-18(23)21(15)3/h6-11,20H,4-5,12H2,1-3H3.
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 390.47 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 55729172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).