N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide

C17H18N2O4S — CID 38551118

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)o2)c1
InChIInChI=1S/C17H18N2O4S/c1-4-10-18-24(21,22)16-7-5-6-14(11-16)17(20)19(3)12-15-9-8-13(2)23-15/h1,5-9,11,18H,10,12H2,2-3H3
InChIKeyRSYGPNYJEBNVAW-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.77
Rot. Bonds6

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 38551118) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID38551118
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)o2)c1
InChIInChI=1S/C17H18N2O4S/c1-4-10-18-24(21,22)16-7-5-6-14(11-16)17(20)19(3)12-15-9-8-13(2)23-15/h1,5-9,11,18H,10,12H2,2-3H3
InChIKeyRSYGPNYJEBNVAW-UHFFFAOYSA-N
XLogP1.77
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4807457
3-[(4-bromophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 17479896
N-[(4-fluorophenyl)methyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 51270481
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551386
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 31150760
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 38550193
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 27034051
3-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4965232
N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 134008758
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 31152143
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 38551118) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)o2)c1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is RSYGPNYJEBNVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-4-10-18-24(21,22)16-7-5-6-14(11-16)17(20)19(3)12-15-9-8-13(2)23-15/h1,5-9,11,18H,10,12H2,2-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 346.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 38551118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).