N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide

C14H22N2O3S — CID 115703678

IUPACN-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide
SMILESCCC(O)CCNC(=O)CCCNC(=O)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-2-11(17)7-9-15-13(18)6-3-8-16-14(19)12-5-4-10-20-12/h4-5,10-11,17H,2-3,6-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyGNFFTNJCZJILTO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.54
Rot. Bonds9

About N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide

N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 115703678) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide
PubChem CID115703678
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide
SMILESCCC(O)CCNC(=O)CCCNC(=O)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-2-11(17)7-9-15-13(18)6-3-8-16-14(19)12-5-4-10-20-12/h4-5,10-11,17H,2-3,6-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyGNFFTNJCZJILTO-UHFFFAOYSA-N
XLogP1.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.54
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-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 78793932
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704
2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695
(2S,3R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 104964883
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-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 103782548
N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 39948346
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide (CID 115703678) is N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide is CCC(O)CCNC(=O)CCCNC(=O)c1cccs1.
What is the InChIKey of N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is GNFFTNJCZJILTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-11(17)7-9-15-13(18)6-3-8-16-14(19)12-5-4-10-20-12/h4-5,10-11,17H,2-3,6-9H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide?
N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 115703678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).