5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide

C19H17Cl2N3O2S — CID 25127786

IUPAC5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1cccc(Nc2sc(-c3cc(Cl)ccc3Cl)cc2C(N)=O)n1
InChIInChI=1S/C19H17Cl2N3O2S/c1-19(2,26)15-4-3-5-16(23-15)24-18-12(17(22)25)9-14(27-18)11-8-10(20)6-7-13(11)21/h3-9,26H,1-2H3,(H2,22,25)(H,23,24)
InChIKeyQVMIRVWRAQBZBR-UHFFFAOYSA-N
MW422.34 g/mol
LogP5.19
Rot. Bonds5

About 5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25127786) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID25127786
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC Name5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1cccc(Nc2sc(-c3cc(Cl)ccc3Cl)cc2C(N)=O)n1
InChIInChI=1S/C19H17Cl2N3O2S/c1-19(2,26)15-4-3-5-16(23-15)24-18-12(17(22)25)9-14(27-18)11-8-10(20)6-7-13(11)21/h3-9,26H,1-2H3,(H2,22,25)(H,23,24)
InChIKeyQVMIRVWRAQBZBR-UHFFFAOYSA-N
XLogP5.19
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.34
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25127784
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(hydroxymethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123485
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525739
6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
CID 59526191
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(pyridin-3-ylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 70869759
5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
CID 44554456
2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
CID 59525658
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68736785
N-[[6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-2-pyridinyl]methyl]pyrimidine-2-carboxamide
CID 70869781
5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
CID 44554286
2-[[6-(1-cyano-3-hydroxypropyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]thiophene-3-carboxamide
CID 70911846
6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-methyl-N-(pyrazin-2-ylmethyl)pyridine-2-carboxamide
CID 59526393

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25127786) is 5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1cccc(Nc2sc(-c3cc(Cl)ccc3Cl)cc2C(N)=O)n1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is QVMIRVWRAQBZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-19(2,26)15-4-3-5-16(23-15)24-18-12(17(22)25)9-14(27-18)11-8-10(20)6-7-13(11)21/h3-9,26H,1-2H3,(H2,22,25)(H,23,24).
What are the key properties of 5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 422.34 g/mol, XLogP of 5.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25127786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).