N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide

C15H24N2O3S — CID 109389253

IUPACN-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C15H24N2O3S/c1-10(2)13(19)15(3,4)9-17-12(18)7-16-14(20)11-5-6-21-8-11/h5-6,8,10,13,19H,7,9H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyWZKCSTRGIACCOT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.64
Rot. Bonds7

About N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 109389253) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID109389253
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C15H24N2O3S/c1-10(2)13(19)15(3,4)9-17-12(18)7-16-14(20)11-5-6-21-8-11/h5-6,8,10,13,19H,7,9H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyWZKCSTRGIACCOT-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide
CID 109380818
N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide
CID 51104213
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 109389252
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939
N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 51092014
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide (CID 109389253) is N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is WZKCSTRGIACCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10(2)13(19)15(3,4)9-17-12(18)7-16-14(20)11-5-6-21-8-11/h5-6,8,10,13,19H,7,9H2,1-4H3,(H,16,20)(H,17,18).
What are the key properties of N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 109389253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).