N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H18N2O5S — CID 100000000

IUPACN-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2o1
InChIInChI=1S/C16H18N2O5S/c1-10-15(11(2)23-18-10)24(20,21)17-9-16(3,19)14-8-12-6-4-5-7-13(12)22-14/h4-8,17,19H,9H2,1-3H3/t16-/m0/s1
InChIKeyZUHKEWHKWQZSCA-INIZCTEOSA-N
MW350.40 g/mol
LogP2.22
Rot. Bonds5

About N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 100000000) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID100000000
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2o1
InChIInChI=1S/C16H18N2O5S/c1-10-15(11(2)23-18-10)24(20,21)17-9-16(3,19)14-8-12-6-4-5-7-13(12)22-14/h4-8,17,19H,9H2,1-3H3/t16-/m0/s1
InChIKeyZUHKEWHKWQZSCA-INIZCTEOSA-N
XLogP2.22
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-bromophenyl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110291682
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531
N-(2,2-diphenylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26545265
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 97065958
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113090418
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71810666
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 99999920
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 34142954
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide
CID 75387478

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 100000000) is N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2o1.
What is the InChIKey of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ZUHKEWHKWQZSCA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-10-15(11(2)23-18-10)24(20,21)17-9-16(3,19)14-8-12-6-4-5-7-13(12)22-14/h4-8,17,19H,9H2,1-3H3/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 350.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 100000000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).