N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide

C22H27N3O6S — CID 46521462

IUPACN-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1
InChIInChI=1S/C22H27N3O6S/c1-14(2)31-18-10-5-15(11-19(18)30-4)22(28)25-24-21(27)13-32-12-20(26)23-16-6-8-17(29-3)9-7-16/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyFRRVBFBIPFKRDX-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.62
Rot. Bonds10

About N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide

N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide (PubChem CID 46521462) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
PubChem CID46521462
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC NameN-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1
InChIInChI=1S/C22H27N3O6S/c1-14(2)31-18-10-5-15(11-19(18)30-4)22(28)25-24-21(27)13-32-12-20(26)23-16-6-8-17(29-3)9-7-16/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyFRRVBFBIPFKRDX-UHFFFAOYSA-N
XLogP2.62
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292224
N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655569
3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide
CID 55348617
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbutanamide
CID 55930339
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
1-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3-(4-methoxyphenyl)thiourea
CID 1000420
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide (CID 46521462) is N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide is COc1ccc(NC(=O)CSCC(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The InChIKey is FRRVBFBIPFKRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-14(2)31-18-10-5-15(11-19(18)30-4)22(28)25-24-21(27)13-32-12-20(26)23-16-6-8-17(29-3)9-7-16/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide?
N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide has a molecular weight of 461.54 g/mol, XLogP of 2.62, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 46521462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).