5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

C24H26F2N4O4S2 — CID 59526124

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc(CN4CCS(=O)(=O)CC4)cn3)s2)c(F)c1
InChIInChI=1S/C24H26F2N4O4S2/c1-24(2,32)15-9-17(25)21(18(26)10-15)19-11-16(22(27)31)23(35-19)29-20-4-3-14(12-28-20)13-30-5-7-36(33,34)8-6-30/h3-4,9-12,32H,5-8,13H2,1-2H3,(H2,27,31)(H,28,29)
InChIKeyRFWWFPKAARCEKS-UHFFFAOYSA-N
MW536.63 g/mol
LogP3.39
Rot. Bonds7

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59526124) has the molecular formula C24H26F2N4O4S2 and a molecular weight of 536.63 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59526124
Molecular FormulaC24H26F2N4O4S2
Molecular Weight536.63 g/mol
Exact Mass536.14
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc(CN4CCS(=O)(=O)CC4)cn3)s2)c(F)c1
InChIInChI=1S/C24H26F2N4O4S2/c1-24(2,32)15-9-17(25)21(18(26)10-15)19-11-16(22(27)31)23(35-19)29-20-4-3-14(12-28-20)13-30-5-7-36(33,34)8-6-30/h3-4,9-12,32H,5-8,13H2,1-2H3,(H2,27,31)(H,28,29)
InChIKeyRFWWFPKAARCEKS-UHFFFAOYSA-N
XLogP3.39
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.63
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-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-[4-(2-Hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25124143
(5R)-N-cyclopropylsulfonyl-5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 86766735
5-fluoro-N-(5-(1-hydroxy-1-(4-(methylsulfonyl)phenyl)propyl) pyridin-2-yl)-4-methylnicotinamide
CID 71010089
5-[2-Fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123162
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-phenyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123166
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123484
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{[(2-hydroxy-1,2-dimethylpropyl)amino]methyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 25123488
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{[(3S)-3-methylmorpholin-4-yl]methyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 25123815
5-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25125831
5-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1,1,4-trihydroxythiolan-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25125833
5-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(pyrrolidin-3-ylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25125834
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(1,3-thiazol-2-ylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25126164

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59526124) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc(CN4CCS(=O)(=O)CC4)cn3)s2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is RFWWFPKAARCEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O4S2/c1-24(2,32)15-9-17(25)21(18(26)10-15)19-11-16(22(27)31)23(35-19)29-20-4-3-14(12-28-20)13-30-5-7-36(33,34)8-6-30/h3-4,9-12,32H,5-8,13H2,1-2H3,(H2,27,31)(H,28,29).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 536.63 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).