N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide

C15H11Cl2NO2S — CID 61077065

IUPACN-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C#CCCO)s1
InChIInChI=1S/C15H11Cl2NO2S/c16-12-6-4-10(9-13(12)17)18-15(20)14-7-5-11(21-14)3-1-2-8-19/h4-7,9,19H,2,8H2,(H,18,20)
InChIKeyGSBPTEKCPODJHF-UHFFFAOYSA-N
MW340.23 g/mol
LogP4.04
Rot. Bonds3

About N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide

N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide (PubChem CID 61077065) has the molecular formula C15H11Cl2NO2S and a molecular weight of 340.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
PubChem CID61077065
Molecular FormulaC15H11Cl2NO2S
Molecular Weight340.23 g/mol
Exact Mass338.99
IUPAC NameN-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C#CCCO)s1
InChIInChI=1S/C15H11Cl2NO2S/c16-12-6-4-10(9-13(12)17)18-15(20)14-7-5-11(21-14)3-1-2-8-19/h4-7,9,19H,2,8H2,(H,18,20)
InChIKeyGSBPTEKCPODJHF-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-5-methylphenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 79046237
5-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
CID 63564139
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
N-[(3-chlorophenyl)methyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 62532102
N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79693097
N-(4-chloro-2-methylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61076895
5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide
CID 61074909
2-[[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]amino]ethyl carbamate
CID 83204803
5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 61075453
5-(3-aminoprop-1-ynyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-carboxamide
CID 79976889
5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 62842092
5-(4-hydroxybut-1-ynyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
CID 64523761

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide (CID 61077065) is N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C#CCCO)s1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The InChIKey is GSBPTEKCPODJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2S/c16-12-6-4-10(9-13(12)17)18-15(20)14-7-5-11(21-14)3-1-2-8-19/h4-7,9,19H,2,8H2,(H,18,20).
What are the key properties of N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide has a molecular weight of 340.23 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 61077065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).