N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

C18H21N5O3S — CID 122354167

IUPACN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)nc(N(C)C)n1
InChIInChI=1S/C18H21N5O3S/c1-12-9-15(22-18(20-12)23(3)4)10-19-27(24,25)16-7-5-14(6-8-16)17-11-26-13(2)21-17/h5-9,11,19H,10H2,1-4H3
InChIKeyILLQWLNCJCZPGP-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.29
Rot. Bonds6

About N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 122354167) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID122354167
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)nc(N(C)C)n1
InChIInChI=1S/C18H21N5O3S/c1-12-9-15(22-18(20-12)23(3)4)10-19-27(24,25)16-7-5-14(6-8-16)17-11-26-13(2)21-17/h5-9,11,19H,10H2,1-4H3
InChIKeyILLQWLNCJCZPGP-UHFFFAOYSA-N
XLogP2.29
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide with MolForge

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Related Compounds

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 91967663
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583083
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122298122
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-nitrobenzenesulfonamide
CID 122354206
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 122354177
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 72718438
N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583158
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122287454
2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 91967648
4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714673
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide
CID 167829406
4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91630721

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 122354167) is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)nc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is ILLQWLNCJCZPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-12-9-15(22-18(20-12)23(3)4)10-19-27(24,25)16-7-5-14(6-8-16)17-11-26-13(2)21-17/h5-9,11,19H,10H2,1-4H3.
What are the key properties of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 122354167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).