N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide

C13H19NO3S — CID 115760287

IUPACN-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C13H19NO3S/c1-14(9-13(16)6-3-4-7-13)12(15)11-10(17-2)5-8-18-11/h5,8,16H,3-4,6-7,9H2,1-2H3
InChIKeyLXQQIUYMULTJST-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.13
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 115760287) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
PubChem CID115760287
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C13H19NO3S/c1-14(9-13(16)6-3-4-7-13)12(15)11-10(17-2)5-8-18-11/h5,8,16H,3-4,6-7,9H2,1-2H3
InChIKeyLXQQIUYMULTJST-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide (CID 115760287) is N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide is COc1ccsc1C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is LXQQIUYMULTJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-14(9-13(16)6-3-4-7-13)12(15)11-10(17-2)5-8-18-11/h5,8,16H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 115760287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).