4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide

C22H22N2O3S — CID 139505953

IUPAC4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C)Sc2ccc(C(=O)Nc3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-24(18-9-11-19(26-2)12-10-18)28-21-13-7-16(8-14-21)22(25)23-17-5-4-6-20(15-17)27-3/h4-15H,1-3H3,(H,23,25)
InChIKeyFFGCCGXSDNYPLU-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.10
Rot. Bonds7

About 4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide

4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide (PubChem CID 139505953) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide
PubChem CID139505953
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C)Sc2ccc(C(=O)Nc3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-24(18-9-11-19(26-2)12-10-18)28-21-13-7-16(8-14-21)22(25)23-17-5-4-6-20(15-17)27-3/h4-15H,1-3H3,(H,23,25)
InChIKeyFFGCCGXSDNYPLU-UHFFFAOYSA-N
XLogP5.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxy-N-methylanilino)sulfanylbenzamide
CID 139506275
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
5-N-(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 47460212
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide (CID 139505953) is 4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide is COc1ccc(N(C)Sc2ccc(C(=O)Nc3cccc(OC)c3)cc2)cc1.
What is the InChIKey of 4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide?
The InChIKey is FFGCCGXSDNYPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-24(18-9-11-19(26-2)12-10-18)28-21-13-7-16(8-14-21)22(25)23-17-5-4-6-20(15-17)27-3/h4-15H,1-3H3,(H,23,25).
What are the key properties of 4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide?
4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 139505953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).