N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide

C15H24N2O2S — CID 78803837

IUPACN-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C15H24N2O2S/c1-11(2)4-5-12(3)17-14(18)6-8-16-15(19)13-7-9-20-10-13/h7,9-12H,4-6,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyAUJIDHAFJBZMSU-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.81
Rot. Bonds8

About N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 78803837) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID78803837
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C15H24N2O2S/c1-11(2)4-5-12(3)17-14(18)6-8-16-15(19)13-7-9-20-10-13/h7,9-12H,4-6,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyAUJIDHAFJBZMSU-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 110887400
4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide
CID 26519163
N-[3-(1,1-diphenylpropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 46432041
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18161073
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 134010279
4-methyl-2-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]pentanoic acid
CID 119252831
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide (CID 78803837) is N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide is CC(C)CCC(C)NC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is AUJIDHAFJBZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)4-5-12(3)17-14(18)6-8-16-15(19)13-7-9-20-10-13/h7,9-12H,4-6,8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 78803837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).