N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide

C15H13F2N5OS — CID 95141117

IUPACN-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N[C@H](c1nn[nH]n1)c1cc(F)ccc1F
InChIInChI=1S/C15H13F2N5OS/c1-2-8-5-6-24-13(8)15(23)18-12(14-19-21-22-20-14)10-7-9(16)3-4-11(10)17/h3-7,12H,2H2,1H3,(H,18,23)(H,19,20,21,22)/t12-/m0/s1
InChIKeyOFGOWJFRFWAOKN-LBPRGKRZSA-N
MW349.37 g/mol
LogP2.62
Rot. Bonds5

About N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide

N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide (PubChem CID 95141117) has the molecular formula C15H13F2N5OS and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide
PubChem CID95141117
Molecular FormulaC15H13F2N5OS
Molecular Weight349.37 g/mol
Exact Mass349.08
IUPAC NameN-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N[C@H](c1nn[nH]n1)c1cc(F)ccc1F
InChIInChI=1S/C15H13F2N5OS/c1-2-8-5-6-24-13(8)15(23)18-12(14-19-21-22-20-14)10-7-9(16)3-4-11(10)17/h3-7,12H,2H2,1H3,(H,18,23)(H,19,20,21,22)/t12-/m0/s1
InChIKeyOFGOWJFRFWAOKN-LBPRGKRZSA-N
XLogP2.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide (CID 95141117) is N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)N[C@H](c1nn[nH]n1)c1cc(F)ccc1F.
What is the InChIKey of N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is OFGOWJFRFWAOKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13F2N5OS/c1-2-8-5-6-24-13(8)15(23)18-12(14-19-21-22-20-14)10-7-9(16)3-4-11(10)17/h3-7,12H,2H2,1H3,(H,18,23)(H,19,20,21,22)/t12-/m0/s1.
What are the key properties of N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide?
N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 95141117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).