3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C18H23ClN2O4S — CID 34756009

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)o1
InChIInChI=1S/C18H23ClN2O4S/c1-12-6-8-14(25-12)11-21(5)17(22)13-7-9-15(19)16(10-13)26(23,24)20-18(2,3)4/h6-10,20H,11H2,1-5H3
InChIKeyMNHLNLGFUCRMIG-UHFFFAOYSA-N
MW398.91 g/mol
LogP3.59
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 34756009) has the molecular formula C18H23ClN2O4S and a molecular weight of 398.91 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID34756009
Molecular FormulaC18H23ClN2O4S
Molecular Weight398.91 g/mol
Exact Mass398.11
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)o1
InChIInChI=1S/C18H23ClN2O4S/c1-12-6-8-14(25-12)11-21(5)17(22)13-7-9-15(19)16(10-13)26(23,24)20-18(2,3)4/h6-10,20H,11H2,1-5H3
InChIKeyMNHLNLGFUCRMIG-UHFFFAOYSA-N
XLogP3.59
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.91
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
CID 30878670
3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4807457
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 24542588
4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 55819127
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27780589
4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24542587
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 4807463
3-(tert-butylsulfamoyl)-4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043611
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 34756009) is 3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)o1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is MNHLNLGFUCRMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4S/c1-12-6-8-14(25-12)11-21(5)17(22)13-7-9-15(19)16(10-13)26(23,24)20-18(2,3)4/h6-10,20H,11H2,1-5H3.
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 398.91 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 34756009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).