5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide

C17H14ClNO2S — CID 166326558

IUPAC5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)c1cccc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C17H14ClNO2S/c18-16-9-8-15(22-16)17(21)19-10-14(20)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14,20H,10H2,(H,19,21)
InChIKeyLNHRCUNMLUWBTI-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.02
Rot. Bonds4

About 5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide

5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide (PubChem CID 166326558) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
PubChem CID166326558
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC Name5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)c1cccc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C17H14ClNO2S/c18-16-9-8-15(22-16)17(21)19-10-14(20)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14,20H,10H2,(H,19,21)
InChIKeyLNHRCUNMLUWBTI-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178
N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070790
5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42910726
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95986574
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide
CID 90497285
5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide
CID 95367180
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(4-phenylphenyl)acetamide
CID 95367196
5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852663

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide (CID 166326558) is 5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide is O=C(NCC(O)c1cccc2ccccc12)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is LNHRCUNMLUWBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c18-16-9-8-15(22-16)17(21)19-10-14(20)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14,20H,10H2,(H,19,21).
What are the key properties of 5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide?
5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 331.82 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 166326558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).