N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

C17H22N4O3S — CID 42769131

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(CN(CCN1CCCCC1)C(=O)c1cccs1)Nc1ccon1
InChIInChI=1S/C17H22N4O3S/c22-16(18-15-6-11-24-19-15)13-21(17(23)14-5-4-12-25-14)10-9-20-7-2-1-3-8-20/h4-6,11-12H,1-3,7-10,13H2,(H,18,19,22)
InChIKeyLADJRVIYVSANIW-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.30
Rot. Bonds7

About N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 42769131) has the molecular formula C17H22N4O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID42769131
Molecular FormulaC17H22N4O3S
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(CN(CCN1CCCCC1)C(=O)c1cccs1)Nc1ccon1
InChIInChI=1S/C17H22N4O3S/c22-16(18-15-6-11-24-19-15)13-21(17(23)14-5-4-12-25-14)10-9-20-7-2-1-3-8-20/h4-6,11-12H,1-3,7-10,13H2,(H,18,19,22)
InChIKeyLADJRVIYVSANIW-UHFFFAOYSA-N
XLogP2.30
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide
CID 4248802
2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 814540
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 3568028
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide
CID 4505979
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42771679
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 42769972
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 4582164
N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 3569448
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 24817642
N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 3287314
N-methyl-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]thiophene-2-carboxamide
CID 55654517
N-(1,2-oxazol-3-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879574

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (CID 42769131) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is O=C(CN(CCN1CCCCC1)C(=O)c1cccs1)Nc1ccon1.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is LADJRVIYVSANIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-16(18-15-6-11-24-19-15)13-21(17(23)14-5-4-12-25-14)10-9-20-7-2-1-3-8-20/h4-6,11-12H,1-3,7-10,13H2,(H,18,19,22).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 42769131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).