1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide

C17H14FNO3S3 — CID 71803384

IUPAC1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
SMILESO=C(c1cccs1)c1ccc(CNS(=O)(=O)Cc2cccc(F)c2)s1
InChIInChI=1S/C17H14FNO3S3/c18-13-4-1-3-12(9-13)11-25(21,22)19-10-14-6-7-16(24-14)17(20)15-5-2-8-23-15/h1-9,19H,10-11H2
InChIKeyFXAQVWUWXRPNCN-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.80
Rot. Bonds7

About 1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide

1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide (PubChem CID 71803384) has the molecular formula C17H14FNO3S3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
PubChem CID71803384
Molecular FormulaC17H14FNO3S3
Molecular Weight395.50 g/mol
Exact Mass395.01
IUPAC Name1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
SMILESO=C(c1cccs1)c1ccc(CNS(=O)(=O)Cc2cccc(F)c2)s1
InChIInChI=1S/C17H14FNO3S3/c18-13-4-1-3-12(9-13)11-25(21,22)19-10-14-6-7-16(24-14)17(20)15-5-2-8-23-15/h1-9,19H,10-11H2
InChIKeyFXAQVWUWXRPNCN-UHFFFAOYSA-N
XLogP3.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131635
1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
CID 90612662
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121131811
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
1-(3-phenylpropyl)-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131937
2-(4-phenylphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131732
1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131918
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 121170190
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide
CID 121131867

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide (CID 71803384) is 1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide is O=C(c1cccs1)c1ccc(CNS(=O)(=O)Cc2cccc(F)c2)s1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide?
The InChIKey is FXAQVWUWXRPNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S3/c18-13-4-1-3-12(9-13)11-25(21,22)19-10-14-6-7-16(24-14)17(20)15-5-2-8-23-15/h1-9,19H,10-11H2.
What are the key properties of 1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide has a molecular weight of 395.50 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 71803384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).