N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

C19H22N4O2S — CID 143734343

IUPACN-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nccc1-c1csc(C(=O)N(O)C(CN)CCc2ccccc2)c1
InChIInChI=1S/C19H22N4O2S/c1-22-17(9-10-21-22)15-11-18(26-13-15)19(24)23(25)16(12-20)8-7-14-5-3-2-4-6-14/h2-6,9-11,13,16,25H,7-8,12,20H2,1H3
InChIKeyJTVKTCXNNXELQK-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.94
Rot. Bonds7

About N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 143734343) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID143734343
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nccc1-c1csc(C(=O)N(O)C(CN)CCc2ccccc2)c1
InChIInChI=1S/C19H22N4O2S/c1-22-17(9-10-21-22)15-11-18(26-13-15)19(24)23(25)16(12-20)8-7-14-5-3-2-4-6-14/h2-6,9-11,13,16,25H,7-8,12,20H2,1H3
InChIKeyJTVKTCXNNXELQK-UHFFFAOYSA-N
XLogP2.94
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[2-[hydroxy-[4-(2-methylpyrazol-3-yl)thiophene-2-carbonyl]amino]-4,4-dimethyl-1-phenylpentan-3-yl]carbamic acid
CID 87687279
(2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine
CID 125424019
3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine
CID 150549406
N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide
CID 68727121
N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24993446
ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate
CID 176910171
1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea
CID 155801216
N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide
CID 25050634
2-[3-(2-methylpyrazol-3-yl)phenyl]ethanol
CID 171393091
N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide
CID 62920452
(2S)-2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylbutanamide
CID 106047350
4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide
CID 58201475

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (CID 143734343) is N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is Cn1nccc1-c1csc(C(=O)N(O)C(CN)CCc2ccccc2)c1.
What is the InChIKey of N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is JTVKTCXNNXELQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-22-17(9-10-21-22)15-11-18(26-13-15)19(24)23(25)16(12-20)8-7-14-5-3-2-4-6-14/h2-6,9-11,13,16,25H,7-8,12,20H2,1H3.
What are the key properties of N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 143734343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).