2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide

C22H20F2N2O3S — CID 67083891

IUPAC2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide
SMILESCC(=O)c1ccc(Nc2sc(-c3c(F)cc(CC(C)O)cc3F)cc2C(N)=O)cc1
InChIInChI=1S/C22H20F2N2O3S/c1-11(27)7-13-8-17(23)20(18(24)9-13)19-10-16(21(25)29)22(30-19)26-15-5-3-14(4-6-15)12(2)28/h3-6,8-11,26-27H,7H2,1-2H3,(H2,25,29)
InChIKeyZVNIQYRDACEMDA-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.66
Rot. Bonds7

About 2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide

2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide (PubChem CID 67083891) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide
PubChem CID67083891
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide
SMILESCC(=O)c1ccc(Nc2sc(-c3c(F)cc(CC(C)O)cc3F)cc2C(N)=O)cc1
InChIInChI=1S/C22H20F2N2O3S/c1-11(27)7-13-8-17(23)20(18(24)9-13)19-10-16(21(25)29)22(30-19)26-15-5-3-14(4-6-15)12(2)28/h3-6,8-11,26-27H,7H2,1-2H3,(H2,25,29)
InChIKeyZVNIQYRDACEMDA-UHFFFAOYSA-N
XLogP4.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide
CID 67083877
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-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68740270
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-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[4-(triazol-2-ylmethyl)anilino]thiophene-3-carboxamide
CID 44608312
5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[2-(hydroxymethyl)-4-pyridinyl]amino]thiophene-3-carboxamide
CID 91347969
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxyethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68738195
5-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
CID 91270803
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68736785
2-[[2-(4-acetylanilino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9113396
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68741098
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]anilino]thiophene-3-carboxamide
CID 44608156

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide (CID 67083891) is 2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide is CC(=O)c1ccc(Nc2sc(-c3c(F)cc(CC(C)O)cc3F)cc2C(N)=O)cc1.
What is the InChIKey of 2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide?
The InChIKey is ZVNIQYRDACEMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c1-11(27)7-13-8-17(23)20(18(24)9-13)19-10-16(21(25)29)22(30-19)26-15-5-3-14(4-6-15)12(2)28/h3-6,8-11,26-27H,7H2,1-2H3,(H2,25,29).
What are the key properties of 2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide?
2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 67083891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).