1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide

C17H14FNO3S3 — CID 90612662

IUPAC1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
SMILESO=C(c1ccsc1)c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H14FNO3S3/c18-14-3-1-12(2-4-14)11-25(21,22)19-9-15-5-6-16(24-15)17(20)13-7-8-23-10-13/h1-8,10,19H,9,11H2
InChIKeyTYRKJEQLCXKCMI-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.80
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide (PubChem CID 90612662) has the molecular formula C17H14FNO3S3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
PubChem CID90612662
Molecular FormulaC17H14FNO3S3
Molecular Weight395.50 g/mol
Exact Mass395.01
IUPAC Name1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
SMILESO=C(c1ccsc1)c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H14FNO3S3/c18-14-3-1-12(2-4-14)11-25(21,22)19-9-15-5-6-16(24-15)17(20)13-7-8-23-10-13/h1-8,10,19H,9,11H2
InChIKeyTYRKJEQLCXKCMI-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

N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide
CID 90612640
4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612653
2,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612528
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90612695
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612529
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
CID 71803384
4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 72717604
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215
4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612682
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612509

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide (CID 90612662) is 1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide is O=C(c1ccsc1)c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide?
The InChIKey is TYRKJEQLCXKCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S3/c18-14-3-1-12(2-4-14)11-25(21,22)19-9-15-5-6-16(24-15)17(20)13-7-8-23-10-13/h1-8,10,19H,9,11H2.
What are the key properties of 1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[[5-(thiophene-3-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-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 90612662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).