5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide

C14H23N3O3S — CID 58418278

IUPAC5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide
SMILESCN(C)CC(=O)N[C@H](c1cc(C(=O)NO)cs1)C(C)(C)C
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)12(15-11(18)7-17(4)5)10-6-9(8-21-10)13(19)16-20/h6,8,12,20H,7H2,1-5H3,(H,15,18)(H,16,19)/t12-/m1/s1
InChIKeyOTJYKPREPDQLJM-GFCCVEGCSA-N
MW313.42 g/mol
LogP1.63
Rot. Bonds5

About 5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide

5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide (PubChem CID 58418278) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide
PubChem CID58418278
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide
SMILESCN(C)CC(=O)N[C@H](c1cc(C(=O)NO)cs1)C(C)(C)C
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)12(15-11(18)7-17(4)5)10-6-9(8-21-10)13(19)16-20/h6,8,12,20H,7H2,1-5H3,(H,15,18)(H,16,19)/t12-/m1/s1
InChIKeyOTJYKPREPDQLJM-GFCCVEGCSA-N
XLogP1.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide
CID 58418268
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-3-carboxamide
CID 63523884
5-bromo-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]thiophene-3-carboxamide
CID 63524941
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 94352559
5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
CID 111483887
(2,2,2-trifluoroacetyl) 5-propan-2-ylthiophene-3-carboxylate
CID 175269850
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005
[1-(4-bromothiophen-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105222605
1-(2-methylpropyl)-3-[(5-propan-2-ylthiophene-3-carbonyl)amino]thiourea
CID 4284157
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893
tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate
CID 103775011

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide?
The IUPAC name of 5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide (CID 58418278) is 5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide.
What is the SMILES notation for 5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide?
The canonical SMILES for 5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide is CN(C)CC(=O)N[C@H](c1cc(C(=O)NO)cs1)C(C)(C)C.
What is the InChIKey of 5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide?
The InChIKey is OTJYKPREPDQLJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)12(15-11(18)7-17(4)5)10-6-9(8-21-10)13(19)16-20/h6,8,12,20H,7H2,1-5H3,(H,15,18)(H,16,19)/t12-/m1/s1.
What are the key properties of 5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide?
5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide is sourced from PubChem (CID 58418278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).