N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide

C17H14ClFN2O3S3 — CID 16833186

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C17H14ClFN2O3S3/c18-15-8-7-14(26-15)13-10-25-17(20-13)21-16(22)2-1-9-27(23,24)12-5-3-11(19)4-6-12/h3-8,10H,1-2,9H2,(H,20,21,22)
InChIKeyLGEXPOKOLKFPNQ-UHFFFAOYSA-N
MW444.96 g/mol
LogP4.86
Rot. Bonds7

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide (PubChem CID 16833186) has the molecular formula C17H14ClFN2O3S3 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
PubChem CID16833186
Molecular FormulaC17H14ClFN2O3S3
Molecular Weight444.96 g/mol
Exact Mass443.98
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C17H14ClFN2O3S3/c18-15-8-7-14(26-15)13-10-25-17(20-13)21-16(22)2-1-9-27(23,24)12-5-3-11(19)4-6-12/h3-8,10H,1-2,9H2,(H,20,21,22)
InChIKeyLGEXPOKOLKFPNQ-UHFFFAOYSA-N
XLogP4.86
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide (CID 16833186) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide is O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide?
The InChIKey is LGEXPOKOLKFPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3S3/c18-15-8-7-14(26-15)13-10-25-17(20-13)21-16(22)2-1-9-27(23,24)12-5-3-11(19)4-6-12/h3-8,10H,1-2,9H2,(H,20,21,22).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide has a molecular weight of 444.96 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide is sourced from PubChem (CID 16833186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).