(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide

C17H23N3O5S — CID 55938250

IUPAC(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2c(C)noc2C)cc1
InChIInChI=1S/C17H23N3O5S/c1-11-16(13(3)25-18-11)10-20(4)17(21)12(2)19-26(22,23)15-8-6-14(24-5)7-9-15/h6-9,12,19H,10H2,1-5H3/t12-/m0/s1
InChIKeyKLUJMLFHHUMRFZ-LBPRGKRZSA-N
MW381.45 g/mol
LogP1.63
Rot. Bonds7

About (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide

(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 55938250) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID55938250
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2c(C)noc2C)cc1
InChIInChI=1S/C17H23N3O5S/c1-11-16(13(3)25-18-11)10-20(4)17(21)12(2)19-26(22,23)15-8-6-14(24-5)7-9-15/h6-9,12,19H,10H2,1-5H3/t12-/m0/s1
InChIKeyKLUJMLFHHUMRFZ-LBPRGKRZSA-N
XLogP1.63
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 91842429
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 94150545
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 75461028
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 18079652
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 55621572
N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
CID 24547346
(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 34247715
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55641872
[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55941957
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55347038
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 50767192
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide (CID 55938250) is (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2c(C)noc2C)cc1.
What is the InChIKey of (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is KLUJMLFHHUMRFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-11-16(13(3)25-18-11)10-20(4)17(21)12(2)19-26(22,23)15-8-6-14(24-5)7-9-15/h6-9,12,19H,10H2,1-5H3/t12-/m0/s1.
What are the key properties of (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 381.45 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 55938250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).