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

C20H25N3O6S — CID 46422657

IUPACN-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCOc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C20H25N3O6S/c1-14(2)29-17-11-10-15(12-18(17)28-4)20(25)22-21-19(24)13-23(3)30(26,27)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyASFUNQWGGKQQIM-UHFFFAOYSA-N
MW435.50 g/mol
LogP1.56
Rot. Bonds8

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

N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 46422657) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID46422657
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCOc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C20H25N3O6S/c1-14(2)29-17-11-10-15(12-18(17)28-4)20(25)22-21-19(24)13-23(3)30(26,27)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyASFUNQWGGKQQIM-UHFFFAOYSA-N
XLogP1.56
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292224
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
N-[1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 55348608
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928308
N'-[2-[(2-chlorophenyl)methoxy]acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 55789099
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55706414
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 133187458
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 46422657) is N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide is COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccccc2)ccc1OC(C)C.
What is the InChIKey of N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is ASFUNQWGGKQQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-14(2)29-17-11-10-15(12-18(17)28-4)20(25)22-21-19(24)13-23(3)30(26,27)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 435.50 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 46422657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).