N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide

C17H21NO2S — CID 107202461

IUPACN-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-18(11-6-3-7-12-19)17(20)16-15(10-13-21-16)14-8-4-2-5-9-14/h2,4-5,8-10,13,19H,3,6-7,11-12H2,1H3
InChIKeyRTDSWSFWEIVWAO-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.65
Rot. Bonds7

About N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide

N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide (PubChem CID 107202461) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide
PubChem CID107202461
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-18(11-6-3-7-12-19)17(20)16-15(10-13-21-16)14-8-4-2-5-9-14/h2,4-5,8-10,13,19H,3,6-7,11-12H2,1H3
InChIKeyRTDSWSFWEIVWAO-UHFFFAOYSA-N
XLogP3.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 78808757
N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 107202129
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
3-phenylthiophene-2-carbonyl chloride
CID 119087278
3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
CID 80641115
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
N-butyl-N,3-dimethylthiophene-2-carboxamide
CID 86978133
2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202478
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
5-hydroxypentyl(methyl)carbamic acid
CID 90197062

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide (CID 107202461) is N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide is CN(CCCCCO)C(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide?
The InChIKey is RTDSWSFWEIVWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-18(11-6-3-7-12-19)17(20)16-15(10-13-21-16)14-8-4-2-5-9-14/h2,4-5,8-10,13,19H,3,6-7,11-12H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide?
N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 107202461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).