N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide

C15H20N2O3S — CID 106279776

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)C(N)=O)sc1C#CCCO
InChIInChI=1S/C15H20N2O3S/c1-10-8-12(21-11(10)6-4-5-7-18)13(19)17-9-15(2,3)14(16)20/h8,18H,5,7,9H2,1-3H3,(H2,16,20)(H,17,19)
InChIKeyFTOULVDRHPCWTL-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.03
Rot. Bonds5

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide (PubChem CID 106279776) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
PubChem CID106279776
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)C(N)=O)sc1C#CCCO
InChIInChI=1S/C15H20N2O3S/c1-10-8-12(21-11(10)6-4-5-7-18)13(19)17-9-15(2,3)14(16)20/h8,18H,5,7,9H2,1-3H3,(H2,16,20)(H,17,19)
InChIKeyFTOULVDRHPCWTL-UHFFFAOYSA-N
XLogP1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79981172
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106331042
5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide
CID 104764946
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106346955
N-(2-cyclopentylethyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79977338
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 79989765
N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79977682
N-(2-amino-2-oxoethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 103103815
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106098187
5-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylthiophene-2-carboxamide
CID 79976618
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide
CID 106422366
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 106279754

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide (CID 106279776) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NCC(C)(C)C(N)=O)sc1C#CCCO.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
The InChIKey is FTOULVDRHPCWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-8-12(21-11(10)6-4-5-7-18)13(19)17-9-15(2,3)14(16)20/h8,18H,5,7,9H2,1-3H3,(H2,16,20)(H,17,19).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 106279776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).