N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide

C22H29N3O4S — CID 20630106

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2)CC(C)O1
InChIInChI=1S/C22H29N3O4S/c1-15(2)30(27,28)24-20-7-5-18(6-8-20)22(26)23-19-9-11-21(12-10-19)25-13-16(3)29-17(4)14-25/h5-12,15-17,24H,13-14H2,1-4H3,(H,23,26)
InChIKeyOCLOYTFBBUKFOT-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.70
Rot. Bonds6

About N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 20630106) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID20630106
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2)CC(C)O1
InChIInChI=1S/C22H29N3O4S/c1-15(2)30(27,28)24-20-7-5-18(6-8-20)22(26)23-19-9-11-21(12-10-19)25-13-16(3)29-17(4)14-25/h5-12,15-17,24H,13-14H2,1-4H3,(H,23,26)
InChIKeyOCLOYTFBBUKFOT-UHFFFAOYSA-N
XLogP3.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630011
N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20628836
N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630073
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 41170655
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
CID 20630033
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2H-benzotriazole-5-carboxamide
CID 52512892
4-acetyl-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-pyrrole-2-carboxamide
CID 94799587
4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564930
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637249

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide (CID 20630106) is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide is CC1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is OCLOYTFBBUKFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-15(2)30(27,28)24-20-7-5-18(6-8-20)22(26)23-19-9-11-21(12-10-19)25-13-16(3)29-17(4)14-25/h5-12,15-17,24H,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 20630106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).