2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide

C15H14Cl3NO2S — CID 95787933

IUPAC2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide
SMILESO=C(NC[C@@H](CO)Cc1ccc(Cl)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H14Cl3NO2S/c16-11-3-1-9(2-4-11)5-10(8-20)7-19-15(21)12-6-13(17)22-14(12)18/h1-4,6,10,20H,5,7-8H2,(H,19,21)/t10-/m0/s1
InChIKeyMWZLKFALQBZYEI-JTQLQIEISA-N
MW378.71 g/mol
LogP4.29
Rot. Bonds6

About 2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide

2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide (PubChem CID 95787933) has the molecular formula C15H14Cl3NO2S and a molecular weight of 378.71 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide
PubChem CID95787933
Molecular FormulaC15H14Cl3NO2S
Molecular Weight378.71 g/mol
Exact Mass376.98
IUPAC Name2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide
SMILESO=C(NC[C@@H](CO)Cc1ccc(Cl)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H14Cl3NO2S/c16-11-3-1-9(2-4-11)5-10(8-20)7-19-15(21)12-6-13(17)22-14(12)18/h1-4,6,10,20H,5,7-8H2,(H,19,21)/t10-/m0/s1
InChIKeyMWZLKFALQBZYEI-JTQLQIEISA-N
XLogP4.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.71
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
CID 103825906
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorothiophene-3-carboxamide
CID 103872680
2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide
CID 111447072
N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966173
2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
CID 103919609
4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547272
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694329

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide (CID 95787933) is 2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide is O=C(NC[C@@H](CO)Cc1ccc(Cl)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide?
The InChIKey is MWZLKFALQBZYEI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14Cl3NO2S/c16-11-3-1-9(2-4-11)5-10(8-20)7-19-15(21)12-6-13(17)22-14(12)18/h1-4,6,10,20H,5,7-8H2,(H,19,21)/t10-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide?
2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide has a molecular weight of 378.71 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2S)-2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]thiophene-3-carboxamide is sourced from PubChem (CID 95787933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).