N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride

C13H22ClN3O2S — CID 119727138

IUPACN-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCNC(=O)c1cccs1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-3-9(2)11(14)13(18)16-7-6-15-12(17)10-5-4-8-19-10;/h4-5,8-9,11H,3,6-7,14H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyTXTLWXZBJJUIAS-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.39
Rot. Bonds7

About N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride

N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119727138) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119727138
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC NameN-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCNC(=O)c1cccs1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-3-9(2)11(14)13(18)16-7-6-15-12(17)10-5-4-8-19-10;/h4-5,8-9,11H,3,6-7,14H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyTXTLWXZBJJUIAS-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
CID 61174235
2-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide;hydrochloride
CID 119787670
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 43092634

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride (CID 119727138) is N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride is CCC(C)C(N)C(=O)NCCNC(=O)c1cccs1.Cl.
What is the InChIKey of N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is TXTLWXZBJJUIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-3-9(2)11(14)13(18)16-7-6-15-12(17)10-5-4-8-19-10;/h4-5,8-9,11H,3,6-7,14H2,1-2H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride?
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119727138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).