2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

C19H18F3N3O4S — CID 60522614

IUPAC2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccco2)CC(F)(F)F)C2CC2)cc1
InChIInChI=1S/C19H18F3N3O4S/c20-19(21,22)13-24(11-16-2-1-9-29-16)18(26)12-25(15-5-6-15)30(27,28)17-7-3-14(10-23)4-8-17/h1-4,7-9,15H,5-6,11-13H2
InChIKeyJCPGKUUBQIAQQK-UHFFFAOYSA-N
MW441.43 g/mol
LogP2.90
Rot. Bonds8

About 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60522614) has the molecular formula C19H18F3N3O4S and a molecular weight of 441.43 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60522614
Molecular FormulaC19H18F3N3O4S
Molecular Weight441.43 g/mol
Exact Mass441.10
IUPAC Name2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccco2)CC(F)(F)F)C2CC2)cc1
InChIInChI=1S/C19H18F3N3O4S/c20-19(21,22)13-24(11-16-2-1-9-29-16)18(26)12-25(15-5-6-15)30(27,28)17-7-3-14(10-23)4-8-17/h1-4,7-9,15H,5-6,11-13H2
InChIKeyJCPGKUUBQIAQQK-UHFFFAOYSA-N
XLogP2.90
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773220
N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 25482636
methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate
CID 47064760
2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 60522802
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 23942870
N-[(4-cyanophenyl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55993556
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 87032912
3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 115328878
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81171860

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60522614) is 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is N#Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccco2)CC(F)(F)F)C2CC2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JCPGKUUBQIAQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S/c20-19(21,22)13-24(11-16-2-1-9-29-16)18(26)12-25(15-5-6-15)30(27,28)17-7-3-14(10-23)4-8-17/h1-4,7-9,15H,5-6,11-13H2.
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 441.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).