4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide

C26H29NO5S — CID 54180315

IUPAC4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide
SMILESCOc1ccc(C(C)(CCC(=O)NS(=O)Oc2ccccc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29NO5S/c1-19-7-5-6-8-24(19)32-33(29)27-25(28)17-18-26(2,20-9-13-22(30-3)14-10-20)21-11-15-23(31-4)16-12-21/h5-16H,17-18H2,1-4H3,(H,27,28)
InChIKeyVERHZXKNUJHSFQ-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.87
Rot. Bonds10

About 4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide

4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide (PubChem CID 54180315) has the molecular formula C26H29NO5S and a molecular weight of 467.59 g/mol. Its IUPAC name is 4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide.

Molecular Properties

Compound Name4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide
PubChem CID54180315
Molecular FormulaC26H29NO5S
Molecular Weight467.59 g/mol
Exact Mass467.18
IUPAC Name4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide
SMILESCOc1ccc(C(C)(CCC(=O)NS(=O)Oc2ccccc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29NO5S/c1-19-7-5-6-8-24(19)32-33(29)27-25(28)17-18-26(2,20-9-13-22(30-3)14-10-20)21-11-15-23(31-4)16-12-21/h5-16H,17-18H2,1-4H3,(H,27,28)
InChIKeyVERHZXKNUJHSFQ-UHFFFAOYSA-N
XLogP4.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,4-bis(4-methoxyphenyl)pentanoate
CID 118933680
N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide
CID 7709107
2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
CID 60990825
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850
1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea
CID 113216413
ethyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 10945637
N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90548986
6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574854
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
4-[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-4-(4-methylphenyl)pentanamide
CID 156628270
N-(2,5-dimethoxyphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670070
2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4984397

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide?
The IUPAC name of 4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide (CID 54180315) is 4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide.
What is the SMILES notation for 4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide?
The canonical SMILES for 4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide is COc1ccc(C(C)(CCC(=O)NS(=O)Oc2ccccc2C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide?
The InChIKey is VERHZXKNUJHSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5S/c1-19-7-5-6-8-24(19)32-33(29)27-25(28)17-18-26(2,20-9-13-22(30-3)14-10-20)21-11-15-23(31-4)16-12-21/h5-16H,17-18H2,1-4H3,(H,27,28).
What are the key properties of 4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide?
4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide has a molecular weight of 467.59 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide is sourced from PubChem (CID 54180315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).