N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

C14H20N2O3S — CID 109400317

IUPACN-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CC1CCCC1O)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-16(9-10-4-2-5-11(10)17)13(18)8-15-14(19)12-6-3-7-20-12/h3,6-7,10-11,17H,2,4-5,8-9H2,1H3,(H,15,19)
InChIKeyDXQFSHNXMCBZHT-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.10
Rot. Bonds5

About N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 109400317) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID109400317
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CC1CCCC1O)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-16(9-10-4-2-5-11(10)17)13(18)8-15-14(19)12-6-3-7-20-12/h3,6-7,10-11,17H,2,4-5,8-9H2,1H3,(H,15,19)
InChIKeyDXQFSHNXMCBZHT-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110003601
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 114302998
N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114369
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 119553083
N-[2-[(2-hydroxycyclohexyl)methyl-methylamino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 110003663
N-[2-[cyclohexyl(methyl)amino]ethyl]thiophene-2-carboxamide
CID 86848703
N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 43577077
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 9108741
N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 113476087

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 109400317) is N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is CN(CC1CCCC1O)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is DXQFSHNXMCBZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-16(9-10-4-2-5-11(10)17)13(18)8-15-14(19)12-6-3-7-20-12/h3,6-7,10-11,17H,2,4-5,8-9H2,1H3,(H,15,19).
What are the key properties of N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 109400317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).