N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

C25H27N5O5S2 — CID 4189761

IUPACN-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C25H27N5O5S2/c31-24(20-7-4-8-21(17-20)37(32,33)30-11-15-35-16-12-30)28-26-18-22-23(19-5-2-1-3-6-19)27-25(36-22)29-9-13-34-14-10-29/h1-8,17-18H,9-16H2,(H,28,31)
InChIKeyJNSJPUIQGSLHTD-UHFFFAOYSA-N
MW541.66 g/mol
LogP2.43
Rot. Bonds7

About N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4189761) has the molecular formula C25H27N5O5S2 and a molecular weight of 541.66 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4189761
Molecular FormulaC25H27N5O5S2
Molecular Weight541.66 g/mol
Exact Mass541.15
IUPAC NameN-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C25H27N5O5S2/c31-24(20-7-4-8-21(17-20)37(32,33)30-11-15-35-16-12-30)28-26-18-22-23(19-5-2-1-3-6-19)27-25(36-22)29-9-13-34-14-10-29/h1-8,17-18H,9-16H2,(H,28,31)
InChIKeyJNSJPUIQGSLHTD-UHFFFAOYSA-N
XLogP2.43
TPSA113.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 6904363
2,5-dimethyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide
CID 6904472
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987
4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide
CID 6904054
N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 2641960
4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline
CID 3405666
N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 41320212
3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 2588912
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2325280
N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide
CID 2589458
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 4189761) is N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is O=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JNSJPUIQGSLHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5S2/c31-24(20-7-4-8-21(17-20)37(32,33)30-11-15-35-16-12-30)28-26-18-22-23(19-5-2-1-3-6-19)27-25(36-22)29-9-13-34-14-10-29/h1-8,17-18H,9-16H2,(H,28,31).
What are the key properties of N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 541.66 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4189761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).