5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide

C15H13Cl2NOS — CID 121377081

IUPAC5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H13Cl2NOS/c16-10-3-1-9(2-4-10)11-5-6-12(11)18-15(19)13-7-8-14(17)20-13/h1-4,7-8,11-12H,5-6H2,(H,18,19)/t11-,12-/m0/s1
InChIKeyKNGBGRKXTIOISC-RYUDHWBXSA-N
MW326.25 g/mol
LogP4.73
Rot. Bonds3

About 5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide

5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide (PubChem CID 121377081) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is 5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide
PubChem CID121377081
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC Name5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H13Cl2NOS/c16-10-3-1-9(2-4-10)11-5-6-12(11)18-15(19)13-7-8-14(17)20-13/h1-4,7-8,11-12H,5-6H2,(H,18,19)/t11-,12-/m0/s1
InChIKeyKNGBGRKXTIOISC-RYUDHWBXSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide (CID 121377081) is 5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide is O=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide?
The InChIKey is KNGBGRKXTIOISC-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c16-10-3-1-9(2-4-10)11-5-6-12(11)18-15(19)13-7-8-14(17)20-13/h1-4,7-8,11-12H,5-6H2,(H,18,19)/t11-,12-/m0/s1.
What are the key properties of 5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide?
5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide has a molecular weight of 326.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 121377081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).