N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide

C18H19F2NO3S — CID 91763964

IUPACN-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NC(c1ccc(F)cc1F)C1CC(O)C1
InChIInChI=1S/C18H19F2NO3S/c1-9-5-15(24-2)17(25-9)18(23)21-16(10-6-12(22)7-10)13-4-3-11(19)8-14(13)20/h3-5,8,10,12,16,22H,6-7H2,1-2H3,(H,21,23)
InChIKeyXOIZQOGFXSKQPJ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.59
Rot. Bonds5

About N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide

N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 91763964) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID91763964
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC NameN-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NC(c1ccc(F)cc1F)C1CC(O)C1
InChIInChI=1S/C18H19F2NO3S/c1-9-5-15(24-2)17(25-9)18(23)21-16(10-6-12(22)7-10)13-4-3-11(19)8-14(13)20/h3-5,8,10,12,16,22H,6-7H2,1-2H3,(H,21,23)
InChIKeyXOIZQOGFXSKQPJ-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide (CID 91763964) is N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide is COc1cc(C)sc1C(=O)NC(c1ccc(F)cc1F)C1CC(O)C1.
What is the InChIKey of N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is XOIZQOGFXSKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-9-5-15(24-2)17(25-9)18(23)21-16(10-6-12(22)7-10)13-4-3-11(19)8-14(13)20/h3-5,8,10,12,16,22H,6-7H2,1-2H3,(H,21,23).
What are the key properties of N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(3-hydroxycyclobutyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 91763964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).