N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C15H15ClN2O5S — CID 99236419

IUPACN-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2
InChIInChI=1S/C15H15ClN2O5S/c1-7-4-10-5-11(6-12(16)14(10)22-7)24(20,21)18-15(19)13-8(2)17-23-9(13)3/h5-7H,4H2,1-3H3,(H,18,19)/t7-/m0/s1
InChIKeyPWVBIHCHYYHBQG-ZETCQYMHSA-N
MW370.81 g/mol
LogP2.39
Rot. Bonds3

About N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 99236419) has the molecular formula C15H15ClN2O5S and a molecular weight of 370.81 g/mol. Its IUPAC name is N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID99236419
Molecular FormulaC15H15ClN2O5S
Molecular Weight370.81 g/mol
Exact Mass370.04
IUPAC NameN-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2
InChIInChI=1S/C15H15ClN2O5S/c1-7-4-10-5-11(6-12(16)14(10)22-7)24(20,21)18-15(19)13-8(2)17-23-9(13)3/h5-7H,4H2,1-3H3,(H,18,19)/t7-/m0/s1
InChIKeyPWVBIHCHYYHBQG-ZETCQYMHSA-N
XLogP2.39
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 99236419) is N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2.
What is the InChIKey of N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is PWVBIHCHYYHBQG-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H15ClN2O5S/c1-7-4-10-5-11(6-12(16)14(10)22-7)24(20,21)18-15(19)13-8(2)17-23-9(13)3/h5-7H,4H2,1-3H3,(H,18,19)/t7-/m0/s1.
What are the key properties of N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 370.81 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 99236419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).