N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C15H20N2O4S — CID 110307463

IUPACN-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NCC3CCCC3)ccc21
InChIInChI=1S/C15H20N2O4S/c1-2-17-13-8-7-12(9-14(13)21-15(17)18)22(19,20)16-10-11-5-3-4-6-11/h7-9,11,16H,2-6,10H2,1H3
InChIKeyXHOLOZLRWBMRPE-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.08
Rot. Bonds5

About N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 110307463) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID110307463
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NCC3CCCC3)ccc21
InChIInChI=1S/C15H20N2O4S/c1-2-17-13-8-7-12(9-14(13)21-15(17)18)22(19,20)16-10-11-5-3-4-6-11/h7-9,11,16H,2-6,10H2,1H3
InChIKeyXHOLOZLRWBMRPE-UHFFFAOYSA-N
XLogP2.08
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71683958
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357042
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
3-ethyl-6-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 110311408
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648280
3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648212
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 16673809

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 110307463) is N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CCn1c(=O)oc2cc(S(=O)(=O)NCC3CCCC3)ccc21.
What is the InChIKey of N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is XHOLOZLRWBMRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-2-17-13-8-7-12(9-14(13)21-15(17)18)22(19,20)16-10-11-5-3-4-6-11/h7-9,11,16H,2-6,10H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 324.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110307463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).