N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide

C19H21N3O2S — CID 75807703

IUPACN-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCCN(C(=O)CCNC(=O)c1cccs1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C19H21N3O2S/c1-3-22(14(2)16-8-6-15(13-20)7-9-16)18(23)10-11-21-19(24)17-5-4-12-25-17/h4-9,12,14H,3,10-11H2,1-2H3,(H,21,24)
InChIKeyXSKAUFDHOHDVLD-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.35
Rot. Bonds7

About N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 75807703) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID75807703
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCCN(C(=O)CCNC(=O)c1cccs1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C19H21N3O2S/c1-3-22(14(2)16-8-6-15(13-20)7-9-16)18(23)10-11-21-19(24)17-5-4-12-25-17/h4-9,12,14H,3,10-11H2,1-2H3,(H,21,24)
InChIKeyXSKAUFDHOHDVLD-UHFFFAOYSA-N
XLogP3.35
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
3-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62825794
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204
methyl 2-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]acetate
CID 61383225
3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide
CID 55593022
N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide
CID 97099110
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 138004639
N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 38746463
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide (CID 75807703) is N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide is CCN(C(=O)CCNC(=O)c1cccs1)C(C)c1ccc(C#N)cc1.
What is the InChIKey of N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is XSKAUFDHOHDVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-22(14(2)16-8-6-15(13-20)7-9-16)18(23)10-11-21-19(24)17-5-4-12-25-17/h4-9,12,14H,3,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 75807703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).