N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide

C14H15IN2O4S — CID 1313308

IUPACN-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(I)cc1
InChIInChI=1S/C14H15IN2O4S/c1-22(19,20)17(12-6-4-11(15)5-7-12)10-14(18)16-9-13-3-2-8-21-13/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeyXUIMANJLTUOTLX-UHFFFAOYSA-N
MW434.26 g/mol
LogP1.97
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide

N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide (PubChem CID 1313308) has the molecular formula C14H15IN2O4S and a molecular weight of 434.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
PubChem CID1313308
Molecular FormulaC14H15IN2O4S
Molecular Weight434.26 g/mol
Exact Mass433.98
IUPAC NameN-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(I)cc1
InChIInChI=1S/C14H15IN2O4S/c1-22(19,20)17(12-6-4-11(15)5-7-12)10-14(18)16-9-13-3-2-8-21-13/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeyXUIMANJLTUOTLX-UHFFFAOYSA-N
XLogP1.97
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2975957
2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 113152850
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113157141
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113155016
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 113149785
2-[[2-(4-chloro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317344
N-(furan-2-ylmethyl)-2-(N-methylsulfonyl-2-morpholin-4-ylanilino)acetamide
CID 113156368
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1108097
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 30129755
N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143143

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide (CID 1313308) is N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(I)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The InChIKey is XUIMANJLTUOTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O4S/c1-22(19,20)17(12-6-4-11(15)5-7-12)10-14(18)16-9-13-3-2-8-21-13/h2-8H,9-10H2,1H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide has a molecular weight of 434.26 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1313308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).