trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide

C19H20F2N2O3S2 — CID 25342315

IUPACtrans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C19H20F2N2O3S2/c1-11-3-4-14(22-18(24)16-9-12(16)2)10-17(11)28(25,26)23-13-5-7-15(8-6-13)27-19(20)21/h3-8,10,12,16,19,23H,9H2,1-2H3,(H,22,24)/t12-,16-/m1/s1
InChIKeySCQJKUZYHGPTIK-MLGOLLRUSA-N
MW426.51 g/mol
LogP4.71
Rot. Bonds7

About trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 25342315) has the molecular formula C19H20F2N2O3S2 and a molecular weight of 426.51 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID25342315
Molecular FormulaC19H20F2N2O3S2
Molecular Weight426.51 g/mol
Exact Mass426.09
IUPAC Nametrans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C19H20F2N2O3S2/c1-11-3-4-14(22-18(24)16-9-12(16)2)10-17(11)28(25,26)23-13-5-7-15(8-6-13)27-19(20)21/h3-8,10,12,16,19,23H,9H2,1-2H3,(H,22,24)/t12-,16-/m1/s1
InChIKeySCQJKUZYHGPTIK-MLGOLLRUSA-N
XLogP4.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 26850175
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569
N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30735593
cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 7762631
1-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-3-(4-nitrophenyl)urea
CID 4102923
N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
CID 42992554
2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941101
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
trans-(1S,2S)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-nitrocyclopropane-1-carboxamide
CID 51959130
N-[4-(difluoromethylsulfanyl)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26499251
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730951

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide (CID 25342315) is trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is SCQJKUZYHGPTIK-MLGOLLRUSA-N. The full InChI is InChI=1S/C19H20F2N2O3S2/c1-11-3-4-14(22-18(24)16-9-12(16)2)10-17(11)28(25,26)23-13-5-7-15(8-6-13)27-19(20)21/h3-8,10,12,16,19,23H,9H2,1-2H3,(H,22,24)/t12-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 25342315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).