N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C18H23N3O2S — CID 119507944

IUPACN-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCCNCCNC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C18H23N3O2S/c1-2-19-10-11-20-17(22)15(13-14-7-4-3-5-8-14)21-18(23)16-9-6-12-24-16/h3-9,12,15,19H,2,10-11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyKLEOMQPAYGFLCV-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.81
Rot. Bonds9

About N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 119507944) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID119507944
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCCNCCNC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C18H23N3O2S/c1-2-19-10-11-20-17(22)15(13-14-7-4-3-5-8-14)21-18(23)16-9-6-12-24-16/h3-9,12,15,19H,2,10-11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyKLEOMQPAYGFLCV-UHFFFAOYSA-N
XLogP1.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 32933462
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112762250
N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24504234
(2S)-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 120615307
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594
N-[1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55342022
N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55847538
[(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium
CID 2536425
[(1R)-1-(furan-2-yl)-2-[[(2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium
CID 2536417

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 119507944) is N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CCNCCNC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.
What is the InChIKey of N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is KLEOMQPAYGFLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-19-10-11-20-17(22)15(13-14-7-4-3-5-8-14)21-18(23)16-9-6-12-24-16/h3-9,12,15,19H,2,10-11,13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 119507944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).