N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide

C19H19N3O4S — CID 41037019

IUPACN'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESC[C@H](NC(=O)CNC(=O)C(=O)NCc1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C19H19N3O4S/c1-12(16-9-13-5-2-3-7-15(13)26-16)22-17(23)11-21-19(25)18(24)20-10-14-6-4-8-27-14/h2-9,12H,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyMLHNLOWEGQKVLK-LBPRGKRZSA-N
MW385.45 g/mol
LogP2.10
Rot. Bonds6

About N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 41037019) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID41037019
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESC[C@H](NC(=O)CNC(=O)C(=O)NCc1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C19H19N3O4S/c1-12(16-9-13-5-2-3-7-15(13)26-16)22-17(23)11-21-19(25)18(24)20-10-14-6-4-8-27-14/h2-9,12H,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyMLHNLOWEGQKVLK-LBPRGKRZSA-N
XLogP2.10
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17398961
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9368140
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
2-[[N-[1-(1-benzofuran-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119133303
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide (CID 41037019) is N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide is C[C@H](NC(=O)CNC(=O)C(=O)NCc1cccs1)c1cc2ccccc2o1.
What is the InChIKey of N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is MLHNLOWEGQKVLK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12(16-9-13-5-2-3-7-15(13)26-16)22-17(23)11-21-19(25)18(24)20-10-14-6-4-8-27-14/h2-9,12H,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,23)/t12-/m0/s1.
What are the key properties of N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 385.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 41037019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).