3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C16H20N2O4S — CID 4807529

IUPAC3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C16H20N2O4S/c1-13-8-9-14(22-13)12-18(2)16(19)10-11-17-23(20,21)15-6-4-3-5-7-15/h3-9,17H,10-12H2,1-2H3
InChIKeyBGVAGKOPEYREBM-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.92
Rot. Bonds7

About 3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 4807529) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID4807529
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C16H20N2O4S/c1-13-8-9-14(22-13)12-18(2)16(19)10-11-17-23(20,21)15-6-4-3-5-7-15/h3-9,17H,10-12H2,1-2H3
InChIKeyBGVAGKOPEYREBM-UHFFFAOYSA-N
XLogP1.92
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmethyl-N-(phenethylcarbamoyl-methyl)-acetamide
CID 653223
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
3-[[(3,4-dimethoxyphenyl)sulfonyl](2-furylmethyl)amino]-N-methylpropanamide
CID 2822846
2-[Ethyl-(4-methoxy-benzenesulfonyl)-amino]-N-furan-2-ylmethyl-acetamide
CID 6493385
N-Furan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1044182
N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494
N-(2-furylmethyl)-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide
CID 3239602
4-chloro-N-[(5-methylfuran-2-yl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 54586573
N1-(furan-2-ylmethyl)-N2-((3-((4-methoxyphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 16194817
2-[(2-Benzenesulfonylamino-acetyl)-furan-2-ylmethyl-amino]-pentanoic acid cyclohexylamide
CID 646714

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 4807529) is 3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is BGVAGKOPEYREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-13-8-9-14(22-13)12-18(2)16(19)10-11-17-23(20,21)15-6-4-3-5-7-15/h3-9,17H,10-12H2,1-2H3.
What are the key properties of 3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 336.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 4807529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).