5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide

C20H19F2N3O3S — CID 91347969

IUPAC5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide
SMILESCCC(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccnc(CO)c3)s2)c(F)c1
InChIInChI=1S/C20H19F2N3O3S/c1-2-16(27)10-5-14(21)18(15(22)6-10)17-8-13(19(23)28)20(29-17)25-11-3-4-24-12(7-11)9-26/h3-8,16,26-27H,2,9H2,1H3,(H2,23,28)(H,24,25)
InChIKeyVRORAPUMQZRUGJ-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.87
Rot. Bonds7

About 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 91347969) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID91347969
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC Name5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide
SMILESCCC(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccnc(CO)c3)s2)c(F)c1
InChIInChI=1S/C20H19F2N3O3S/c1-2-16(27)10-5-14(21)18(15(22)6-10)17-8-13(19(23)28)20(29-17)25-11-3-4-24-12(7-11)9-26/h3-8,16,26-27H,2,9H2,1H3,(H2,23,28)(H,24,25)
InChIKeyVRORAPUMQZRUGJ-UHFFFAOYSA-N
XLogP3.87
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-hydroxyethoxy)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 91281332
5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
CID 91270803
2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 67083891
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[4-(triazol-2-ylmethyl)anilino]thiophene-3-carboxamide
CID 44608312
5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide
CID 67083877
5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25128119
methyl N-[[4-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]phenyl]methyl]carbamate
CID 58256460
5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 90701683
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
6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide
CID 68739696
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59526073
5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68740067

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide (CID 91347969) is 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide is CCC(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccnc(CO)c3)s2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is VRORAPUMQZRUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c1-2-16(27)10-5-14(21)18(15(22)6-10)17-8-13(19(23)28)20(29-17)25-11-3-4-24-12(7-11)9-26/h3-8,16,26-27H,2,9H2,1H3,(H2,23,28)(H,24,25).
What are the key properties of 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 91347969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).