N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C14H22N2O3S — CID 111460860

IUPACN-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCC(C)C(O)CCNC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-10(2)11(17)6-7-15-13(18)9-16(3)14(19)12-5-4-8-20-12/h4-5,8,10-11,17H,6-7,9H2,1-3H3,(H,15,18)
InChIKeyNQZCKPMGKNPTJQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.34
Rot. Bonds7

About N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 111460860) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID111460860
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCC(C)C(O)CCNC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-10(2)11(17)6-7-15-13(18)9-16(3)14(19)12-5-4-8-20-12/h4-5,8,10-11,17H,6-7,9H2,1-3H3,(H,15,18)
InChIKeyNQZCKPMGKNPTJQ-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 103862367
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79252389
N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 86985377
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
N-methyl-N-[2-oxo-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]thiophene-2-carboxamide
CID 51096132
(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
CID 107144518
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 95772105
4-methoxy-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]butanoic acid
CID 62478757
N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55609041

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 111460860) is N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CC(C)C(O)CCNC(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is NQZCKPMGKNPTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)11(17)6-7-15-13(18)9-16(3)14(19)12-5-4-8-20-12/h4-5,8,10-11,17H,6-7,9H2,1-3H3,(H,15,18).
What are the key properties of N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 111460860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).