N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide

C17H18N2O6S — CID 7574126

IUPACN-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide
SMILESCCCC(=O)N(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C17H18N2O6S/c1-3-5-16(20)19(11-12-6-4-9-24-12)26(22,23)13-7-8-14-15(10-13)25-17(21)18(14)2/h4,6-10H,3,5,11H2,1-2H3
InChIKeyANHCXDHBGFCNDC-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.24
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide

N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide (PubChem CID 7574126) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide
PubChem CID7574126
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC NameN-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide
SMILESCCCC(=O)N(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C17H18N2O6S/c1-3-5-16(20)19(11-12-6-4-9-24-12)26(22,23)13-7-8-14-15(10-13)25-17(21)18(14)2/h4,6-10H,3,5,11H2,1-2H3
InChIKeyANHCXDHBGFCNDC-UHFFFAOYSA-N
XLogP2.24
TPSA102.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 18590134
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide
CID 18590145
N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 39983419
N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 110715789
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 30593045
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanoic acid
CID 154582026
N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide
CID 34907237
6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62300199
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648175

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide (CID 7574126) is N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide is CCCC(=O)N(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide?
The InChIKey is ANHCXDHBGFCNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-3-5-16(20)19(11-12-6-4-9-24-12)26(22,23)13-7-8-14-15(10-13)25-17(21)18(14)2/h4,6-10H,3,5,11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide?
N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide has a molecular weight of 378.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide is sourced from PubChem (CID 7574126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).