5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

C24H28N4O4S — CID 59526175

IUPAC5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(=O)NCc1ccc(-c2cc(C(N)=O)c(Nc3cccc(COCC(C)(C)O)n3)s2)cc1
InChIInChI=1S/C24H28N4O4S/c1-15(29)26-12-16-7-9-17(10-8-16)20-11-19(22(25)30)23(33-20)28-21-6-4-5-18(27-21)13-32-14-24(2,3)31/h4-11,31H,12-14H2,1-3H3,(H2,25,30)(H,26,29)(H,27,28)
InChIKeyKDUCCSMULYHFMY-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.58
Rot. Bonds10

About 5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59526175) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59526175
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(=O)NCc1ccc(-c2cc(C(N)=O)c(Nc3cccc(COCC(C)(C)O)n3)s2)cc1
InChIInChI=1S/C24H28N4O4S/c1-15(29)26-12-16-7-9-17(10-8-16)20-11-19(22(25)30)23(33-20)28-21-6-4-5-18(27-21)13-32-14-24(2,3)31/h4-11,31H,12-14H2,1-3H3,(H2,25,30)(H,26,29)(H,27,28)
InChIKeyKDUCCSMULYHFMY-UHFFFAOYSA-N
XLogP3.58
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 68736644
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-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(hydroxymethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123485
5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide
CID 44555128
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 25124467
5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25127784
2-[[6-[2-(dimethylamino)ethoxymethyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
CID 68741986
[1-[[6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-2-pyridinyl]methyl]triazol-4-yl]methylcarbamic acid
CID 70869705
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525670
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(pyridin-3-ylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 70869759
5-phenyl-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 25127137

Frequently Asked Questions

What is the IUPAC name of 5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59526175) is 5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(=O)NCc1ccc(-c2cc(C(N)=O)c(Nc3cccc(COCC(C)(C)O)n3)s2)cc1.
What is the InChIKey of 5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is KDUCCSMULYHFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-15(29)26-12-16-7-9-17(10-8-16)20-11-19(22(25)30)23(33-20)28-21-6-4-5-18(27-21)13-32-14-24(2,3)31/h4-11,31H,12-14H2,1-3H3,(H2,25,30)(H,26,29)(H,27,28).
What are the key properties of 5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.58, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).