N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide

C20H25N3O3S — CID 7658997

IUPACN-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-15-14-16(6-11-19(15)23-12-4-5-13-27(23,25)26)20(24)21-17-7-9-18(10-8-17)22(2)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyUNENCAXTXSLTDJ-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.24
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide

N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide (PubChem CID 7658997) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
PubChem CID7658997
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-15-14-16(6-11-19(15)23-12-4-5-13-27(23,25)26)20(24)21-17-7-9-18(10-8-17)22(2)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyUNENCAXTXSLTDJ-UHFFFAOYSA-N
XLogP3.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoic acid
CID 16642520
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(3-nitrophenyl)benzamide
CID 7685954
N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7499082
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 112505449
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
CID 112505754
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 7685953
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517012
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7584549
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 7685921

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide (CID 7658997) is N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccc1N1CCCCS1(=O)=O.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide?
The InChIKey is UNENCAXTXSLTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-14-16(6-11-19(15)23-12-4-5-13-27(23,25)26)20(24)21-17-7-9-18(10-8-17)22(2)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide?
N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 7658997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).