N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide

C21H25N3O6S — CID 41483297

IUPACN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(N3CCCS3(=O)=O)c2)ccc1OC(C)C
InChIInChI=1S/C21H25N3O6S/c1-14(2)30-18-9-8-16(13-19(18)29-3)21(26)23-22-20(25)15-6-4-7-17(12-15)24-10-5-11-31(24,27)28/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWHSBBDWSVRRXMU-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.10
Rot. Bonds6

About N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide

N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide (PubChem CID 41483297) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
PubChem CID41483297
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(N3CCCS3(=O)=O)c2)ccc1OC(C)C
InChIInChI=1S/C21H25N3O6S/c1-14(2)30-18-9-8-16(13-19(18)29-3)21(26)23-22-20(25)15-6-4-7-17(12-15)24-10-5-11-31(24,27)28/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWHSBBDWSVRRXMU-UHFFFAOYSA-N
XLogP2.10
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.10
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-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25493244
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
(2S,3S)-2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-3-methylpentanoic acid
CID 119194008
N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499116
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55523206
methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
CID 18134729
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686036
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-2-methoxybenzoic acid
CID 166181534
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 24596783
3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 8621873

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide (CID 41483297) is N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)c2cccc(N3CCCS3(=O)=O)c2)ccc1OC(C)C.
What is the InChIKey of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The InChIKey is WHSBBDWSVRRXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-14(2)30-18-9-8-16(13-19(18)29-3)21(26)23-22-20(25)15-6-4-7-17(12-15)24-10-5-11-31(24,27)28/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide has a molecular weight of 447.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 41483297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).