N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

C18H17FN2O3S3 — CID 33307839

IUPACN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)s1
InChIInChI=1S/C18H17FN2O3S3/c1-21(2)27(23,24)17-10-7-14(25-17)11-20-18(22)16-9-8-15(26-16)12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyMMNTTXUNBSXCSU-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.80
Rot. Bonds6

About N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 33307839) has the molecular formula C18H17FN2O3S3 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID33307839
Molecular FormulaC18H17FN2O3S3
Molecular Weight424.54 g/mol
Exact Mass424.04
IUPAC NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)s1
InChIInChI=1S/C18H17FN2O3S3/c1-21(2)27(23,24)17-10-7-14(25-17)11-20-18(22)16-9-8-15(26-16)12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyMMNTTXUNBSXCSU-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232739
5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 35008485
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methoxybenzamide
CID 37017962
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
5-[[(4-fluorophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581110
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53112482
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244881
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111875966
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea
CID 17445044
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 33307839) is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)s1.
What is the InChIKey of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is MMNTTXUNBSXCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S3/c1-21(2)27(23,24)17-10-7-14(25-17)11-20-18(22)16-9-8-15(26-16)12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 33307839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).