N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide

C15H25N3O2S — CID 78793932

IUPACN-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)CCCNC(=O)c1cccs1
InChIInChI=1S/C15H25N3O2S/c1-3-18(4-2)11-10-16-14(19)8-5-9-17-15(20)13-7-6-12-21-13/h6-7,12H,3-5,8-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZWKWAGXHKHCJCX-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.72
Rot. Bonds10

About N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 78793932) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID78793932
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)CCCNC(=O)c1cccs1
InChIInChI=1S/C15H25N3O2S/c1-3-18(4-2)11-10-16-14(19)8-5-9-17-15(20)13-7-6-12-21-13/h6-7,12H,3-5,8-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZWKWAGXHKHCJCX-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 115703678
N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 18114572
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[4-[3-bromo-N-[2-(diethylamino)ethyl]anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55984089
N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 39948346
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874
(2S,3R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 104964883
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 111334739
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide (CID 78793932) is N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide is CCN(CC)CCNC(=O)CCCNC(=O)c1cccs1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is ZWKWAGXHKHCJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-18(4-2)11-10-16-14(19)8-5-9-17-15(20)13-7-6-12-21-13/h6-7,12H,3-5,8-11H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 78793932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).