N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide

C32H33N5O5S2 — CID 25164687

IUPACN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(-c2csc(NC(=O)c3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C32H33N5O5S2/c38-30(33-27-9-1-23(2-10-27)21-36-15-19-44(40,41)20-16-36)25-5-3-24(4-6-25)29-22-43-32(34-29)35-31(39)26-7-11-28(12-8-26)37-13-17-42-18-14-37/h1-12,22H,13-21H2,(H,33,38)(H,34,35,39)
InChIKeyYRBPKOKJNTXVEB-UHFFFAOYSA-N
MW631.78 g/mol
LogP4.38
Rot. Bonds8

About N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide

N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide (PubChem CID 25164687) has the molecular formula C32H33N5O5S2 and a molecular weight of 631.78 g/mol. Its IUPAC name is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide
PubChem CID25164687
Molecular FormulaC32H33N5O5S2
Molecular Weight631.78 g/mol
Exact Mass631.19
IUPAC NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(-c2csc(NC(=O)c3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C32H33N5O5S2/c38-30(33-27-9-1-23(2-10-27)21-36-15-19-44(40,41)20-16-36)25-5-3-24(4-6-25)29-22-43-32(34-29)35-31(39)26-7-11-28(12-8-26)37-13-17-42-18-14-37/h1-12,22H,13-21H2,(H,33,38)(H,34,35,39)
InChIKeyYRBPKOKJNTXVEB-UHFFFAOYSA-N
XLogP4.38
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.78
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide with MolForge

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
4-[3-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]carbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazole-2-carboxamide
CID 71044205
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methoxybenzamide
CID 2811596
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55439428
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
4-(morpholin-4-ylmethyl)-N-[4-[3-[2-[tri(propan-2-yl)-λ4-sulfanyl]ethynyl]phenyl]-1,3-thiazol-2-yl]benzamide
CID 129109039
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[5-(hydroxymethyl)-2-methylphenyl]benzamide
CID 59822356
N-(4-morpholin-4-ylphenyl)-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 25165292
N-(4-chlorophenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;N-[3-(dimethylamino)-4-methylphenyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea;4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 159728562
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
4-[2-(2-pyridin-3-ylethylamino)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 134385028

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide (CID 25164687) is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide is O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(-c2csc(NC(=O)c3ccc(N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide?
The InChIKey is YRBPKOKJNTXVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O5S2/c38-30(33-27-9-1-23(2-10-27)21-36-15-19-44(40,41)20-16-36)25-5-3-24(4-6-25)29-22-43-32(34-29)35-31(39)26-7-11-28(12-8-26)37-13-17-42-18-14-37/h1-12,22H,13-21H2,(H,33,38)(H,34,35,39).
What are the key properties of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide?
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide has a molecular weight of 631.78 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 25164687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).