N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

C19H25N5O4S — CID 96537850

IUPACN-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
SMILESC[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cncnc3N(C)C)c2)C[C@H](C)O1
InChIInChI=1S/C19H25N5O4S/c1-13-10-24(11-14(2)28-13)29(26,27)16-7-5-6-15(8-16)19(25)22-17-9-20-12-21-18(17)23(3)4/h5-9,12-14H,10-11H2,1-4H3,(H,22,25)/t13-,14-/m0/s1
InChIKeyULRRDTAZXIRMPW-KBPBESRZSA-N
MW419.51 g/mol
LogP1.59
Rot. Bonds5

About N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide (PubChem CID 96537850) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
PubChem CID96537850
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC NameN-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
SMILESC[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cncnc3N(C)C)c2)C[C@H](C)O1
InChIInChI=1S/C19H25N5O4S/c1-13-10-24(11-14(2)28-13)29(26,27)16-7-5-6-15(8-16)19(25)22-17-9-20-12-21-18(17)23(3)4/h5-9,12-14H,10-11H2,1-4H3,(H,22,25)/t13-,14-/m0/s1
InChIKeyULRRDTAZXIRMPW-KBPBESRZSA-N
XLogP1.59
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984470
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
CID 35034712
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide
CID 43002278
N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2078421
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The IUPAC name of N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide (CID 96537850) is N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide is C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cncnc3N(C)C)c2)C[C@H](C)O1.
What is the InChIKey of N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The InChIKey is ULRRDTAZXIRMPW-KBPBESRZSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-13-10-24(11-14(2)28-13)29(26,27)16-7-5-6-15(8-16)19(25)22-17-9-20-12-21-18(17)23(3)4/h5-9,12-14H,10-11H2,1-4H3,(H,22,25)/t13-,14-/m0/s1.
What are the key properties of N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide has a molecular weight of 419.51 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide is sourced from PubChem (CID 96537850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).