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

C16H19ClN2O4S — CID 31152143

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C16H19ClN2O4S/c1-12-6-7-14(23-12)11-19(2)16(20)8-9-18-24(21,22)15-5-3-4-13(17)10-15/h3-7,10,18H,8-9,11H2,1-2H3
InChIKeyNKNQBPMPUFJVRL-UHFFFAOYSA-N
MW370.86 g/mol
LogP2.57
Rot. Bonds7

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

3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 31152143) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID31152143
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C16H19ClN2O4S/c1-12-6-7-14(23-12)11-19(2)16(20)8-9-18-24(21,22)15-5-3-4-13(17)10-15/h3-7,10,18H,8-9,11H2,1-2H3
InChIKeyNKNQBPMPUFJVRL-UHFFFAOYSA-N
XLogP2.57
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807517
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31152189
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 51125196
3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 78797988
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551118
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 35825092
2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 112790538
N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55349042

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 31152143) is 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)o1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is NKNQBPMPUFJVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-12-6-7-14(23-12)11-19(2)16(20)8-9-18-24(21,22)15-5-3-4-13(17)10-15/h3-7,10,18H,8-9,11H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 370.86 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 31152143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).