N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide

C12H18N2O3S — CID 115410037

IUPACN-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)CONC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-9(2)8-17-14-11(15)5-6-13-12(16)10-4-3-7-18-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyIAZLNPZZBWDMCW-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.57
Rot. Bonds7

About N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 115410037) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID115410037
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)CONC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-9(2)8-17-14-11(15)5-6-13-12(16)10-4-3-7-18-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyIAZLNPZZBWDMCW-UHFFFAOYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115770942
N-[3-[1-(4-bromophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192625
N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
CID 115409895
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 17497186
N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 119524372
2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695
[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807951

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide (CID 115410037) is N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide is CC(C)CONC(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is IAZLNPZZBWDMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)8-17-14-11(15)5-6-13-12(16)10-4-3-7-18-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 115410037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).