N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride

C14H24ClN3O2S — CID 119599344

IUPACN-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CNC(=O)c1cccs1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-10(2)7-14(3,9-15)17-12(18)8-16-13(19)11-5-4-6-20-11;/h4-6,10H,7-9,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyXPMMEKALKWQQSJ-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.78
Rot. Bonds7

About N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride

N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119599344) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119599344
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC NameN-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CNC(=O)c1cccs1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-10(2)7-14(3,9-15)17-12(18)8-16-13(19)11-5-4-6-20-11;/h4-6,10H,7-9,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyXPMMEKALKWQQSJ-UHFFFAOYSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 119599088
N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
CID 120506210
N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119599008
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
CID 157304245
N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 119524372
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119521422
[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807951
3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 122080681
(2S)-4-methyl-2-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]pentanoic acid
CID 119361200
N-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9437374
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808026

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride (CID 119599344) is N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)CNC(=O)c1cccs1.Cl.
What is the InChIKey of N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is XPMMEKALKWQQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-10(2)7-14(3,9-15)17-12(18)8-16-13(19)11-5-4-6-20-11;/h4-6,10H,7-9,15H2,1-3H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride?
N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119599344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).