2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide

C14H13Cl2NO2S — CID 111102459

IUPAC2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-12-7-11(13(16)20-12)14(19)17-8-10(18)6-9-4-2-1-3-5-9/h1-5,7,10,18H,6,8H2,(H,17,19)
InChIKeyKFZPNLRIENWQFV-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.39
Rot. Bonds5

About 2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide

2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide (PubChem CID 111102459) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
PubChem CID111102459
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-12-7-11(13(16)20-12)14(19)17-8-10(18)6-9-4-2-1-3-5-9/h1-5,7,10,18H,6,8H2,(H,17,19)
InChIKeyKFZPNLRIENWQFV-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
CID 103825906
2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102414
2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765281
2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide
CID 95787933
4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547272
2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102632
2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694329
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 56826094
2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
CID 41450667

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide (CID 111102459) is 2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide is O=C(NCC(O)Cc1ccccc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide?
The InChIKey is KFZPNLRIENWQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-12-7-11(13(16)20-12)14(19)17-8-10(18)6-9-4-2-1-3-5-9/h1-5,7,10,18H,6,8H2,(H,17,19).
What are the key properties of 2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide has a molecular weight of 330.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 111102459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).