N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H18N2O4S — CID 74229543

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C14H18N2O4S/c1-9(12-6-5-7-13(8-12)19-4)16-21(17,18)14-10(2)15-20-11(14)3/h5-9,16H,1-4H3/t9-/m1/s1
InChIKeySEEHWXBVGUZLOL-SECBINFHSA-N
MW310.38 g/mol
LogP2.34
Rot. Bonds5

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 74229543) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID74229543
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C14H18N2O4S/c1-9(12-6-5-7-13(8-12)19-4)16-21(17,18)14-10(2)15-20-11(14)3/h5-9,16H,1-4H3/t9-/m1/s1
InChIKeySEEHWXBVGUZLOL-SECBINFHSA-N
XLogP2.34
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 55936107
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-sulfonamide
CID 45366402
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691931
N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 126827659
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51927549
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 74229543) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1cccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is SEEHWXBVGUZLOL-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-9(12-6-5-7-13(8-12)19-4)16-21(17,18)14-10(2)15-20-11(14)3/h5-9,16H,1-4H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 74229543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).