N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide

C20H30N2O2S — CID 118433180

IUPACN-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2CCCC2)cc1C1CC1NCC1CCOCC1
InChIInChI=1S/C20H30N2O2S/c1-13-16(11-19(25-13)20(23)22-15-4-2-3-5-15)17-10-18(17)21-12-14-6-8-24-9-7-14/h11,14-15,17-18,21H,2-10,12H2,1H3,(H,22,23)
InChIKeyJGGLFCVGEUFXBB-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.60
Rot. Bonds6

About N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide

N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide (PubChem CID 118433180) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
PubChem CID118433180
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC NameN-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2CCCC2)cc1C1CC1NCC1CCOCC1
InChIInChI=1S/C20H30N2O2S/c1-13-16(11-19(25-13)20(23)22-15-4-2-3-5-15)17-10-18(17)21-12-14-6-8-24-9-7-14/h11,14-15,17-18,21H,2-10,12H2,1H3,(H,22,23)
InChIKeyJGGLFCVGEUFXBB-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide (CID 118433180) is N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide is Cc1sc(C(=O)NC2CCCC2)cc1C1CC1NCC1CCOCC1.
What is the InChIKey of N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
The InChIKey is JGGLFCVGEUFXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-13-16(11-19(25-13)20(23)22-15-4-2-3-5-15)17-10-18(17)21-12-14-6-8-24-9-7-14/h11,14-15,17-18,21H,2-10,12H2,1H3,(H,22,23).
What are the key properties of N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide has a molecular weight of 362.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 118433180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).