2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide

C15H17ClN2O5S — CID 2219302

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C15H17ClN2O5S/c1-18(10-15(19)17-9-11-4-3-7-23-11)24(20,21)12-5-6-14(22-2)13(16)8-12/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyDGRPFUADYKSFGK-UHFFFAOYSA-N
MW372.83 g/mol
LogP1.88
Rot. Bonds7

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 2219302) has the molecular formula C15H17ClN2O5S and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID2219302
Molecular FormulaC15H17ClN2O5S
Molecular Weight372.83 g/mol
Exact Mass372.05
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C15H17ClN2O5S/c1-18(10-15(19)17-9-11-4-3-7-23-11)24(20,21)12-5-6-14(22-2)13(16)8-12/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyDGRPFUADYKSFGK-UHFFFAOYSA-N
XLogP1.88
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorobenzenesulfonyl)-N-((furan-2-yl)methyl)piperidine-4-carboxamide
CID 1042562
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)furan-2-carboxamide
CID 6490921
2-[Ethyl-(4-methoxy-benzenesulfonyl)-amino]-N-furan-2-ylmethyl-acetamide
CID 6493385
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-(4-Chloro-benzenesulfonylamino)-acetyl]-cyclopentyl-amino}-pentanoic acid (furan-2-ylmethyl)-amide
CID 651088
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1084427
1-[(5-Chloro-2-methoxyphenyl)sulfonyl]-4-(2-furoyl)piperazine
CID 1256647
2-[4-(diethylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 2319505
2-Benzenesulfonylamino-N-furan-2-ylmethyl-propionamide
CID 2963960
N-Cyclopentyl-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-2-(4-methoxy-benzenesulfonylamino)-acetamide
CID 3206953
2-(4-Chlorobenzenesulfonamido)-N-(furan-2-ylmethyl)-N-{[(oxolan-2-ylmethyl)carbamoyl]methyl}acetamide
CID 3207117

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide (CID 2219302) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DGRPFUADYKSFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5S/c1-18(10-15(19)17-9-11-4-3-7-23-11)24(20,21)12-5-6-14(22-2)13(16)8-12/h3-8H,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 372.83 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2219302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).