4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide

C20H27ClN2O4S — CID 55819127

IUPAC4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccc(C)o2)C(C)C)ccc1Cl
InChIInChI=1S/C20H27ClN2O4S/c1-6-22(7-2)28(25,26)19-12-16(9-11-18(19)21)20(24)23(14(3)4)13-17-10-8-15(5)27-17/h8-12,14H,6-7,13H2,1-5H3
InChIKeyWQAVDJZHVUKQCB-UHFFFAOYSA-N
MW426.97 g/mol
LogP4.32
Rot. Bonds8

About 4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide

4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 55819127) has the molecular formula C20H27ClN2O4S and a molecular weight of 426.97 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID55819127
Molecular FormulaC20H27ClN2O4S
Molecular Weight426.97 g/mol
Exact Mass426.14
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccc(C)o2)C(C)C)ccc1Cl
InChIInChI=1S/C20H27ClN2O4S/c1-6-22(7-2)28(25,26)19-12-16(9-11-18(19)21)20(24)23(14(3)4)13-17-10-8-15(5)27-17/h8-12,14H,6-7,13H2,1-5H3
InChIKeyWQAVDJZHVUKQCB-UHFFFAOYSA-N
XLogP4.32
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 55990967
3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 34756009
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 34940830
3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55670053
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 63859047
6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 66463920
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
4-chloro-3-(diethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 32992438
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide
CID 55856871
3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide (CID 55819127) is 4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccc(C)o2)C(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is WQAVDJZHVUKQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O4S/c1-6-22(7-2)28(25,26)19-12-16(9-11-18(19)21)20(24)23(14(3)4)13-17-10-8-15(5)27-17/h8-12,14H,6-7,13H2,1-5H3.
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 426.97 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 55819127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).