N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide

C16H20N2O5S — CID 51296855

IUPACN-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCCCOCc1ccco1
InChIInChI=1S/C16H20N2O5S/c1-24(20,21)18-15-8-3-2-7-14(15)16(19)17-9-5-10-22-12-13-6-4-11-23-13/h2-4,6-8,11,18H,5,9-10,12H2,1H3,(H,17,19)
InChIKeyBXNKWBVRZKRHQY-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.99
Rot. Bonds9

About N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide

N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide (PubChem CID 51296855) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
PubChem CID51296855
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCCCOCc1ccco1
InChIInChI=1S/C16H20N2O5S/c1-24(20,21)18-15-8-3-2-7-14(15)16(19)17-9-5-10-22-12-13-6-4-11-23-13/h2-4,6-8,11,18H,5,9-10,12H2,1H3,(H,17,19)
InChIKeyBXNKWBVRZKRHQY-UHFFFAOYSA-N
XLogP1.99
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 75397489
2-(dimethylamino)-N-[3-(furan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 87038703
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
CID 51296890
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
CID 61273619
2-(methanesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 38573387
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide (CID 51296855) is N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccccc1C(=O)NCCCOCc1ccco1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide?
The InChIKey is BXNKWBVRZKRHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-24(20,21)18-15-8-3-2-7-14(15)16(19)17-9-5-10-22-12-13-6-4-11-23-13/h2-4,6-8,11,18H,5,9-10,12H2,1H3,(H,17,19).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide?
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide has a molecular weight of 352.41 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 51296855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).