N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide

C13H20N2O3S — CID 18161073

IUPACN-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
SMILESCOCC(C)NC(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C13H20N2O3S/c1-10(8-18-2)15-12(16)4-3-6-14-13(17)11-5-7-19-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyVIGMSBPRMZUJFY-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.41
Rot. Bonds8

About N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide

N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 18161073) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
PubChem CID18161073
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
SMILESCOCC(C)NC(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C13H20N2O3S/c1-10(8-18-2)15-12(16)4-3-6-14-13(17)11-5-7-19-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyVIGMSBPRMZUJFY-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.41
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-(1-hydroxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 110887400
4-chloro-N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]benzamide
CID 18161035
4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
CID 30481575
N-[4-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 39958882
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 46440747
N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78803837
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
2-[4-(thiophene-3-carbonylamino)butanoylamino]butanoic acid
CID 119224156
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071
N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
CID 24683991
methyl 3-phenyl-3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoate
CID 18121213

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide (CID 18161073) is N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide is COCC(C)NC(=O)CCCNC(=O)c1ccsc1.
What is the InChIKey of N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is VIGMSBPRMZUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(8-18-2)15-12(16)4-3-6-14-13(17)11-5-7-19-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide?
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 18161073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).