3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide

C20H19ClN2O4S — CID 43004085

IUPAC3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1OC
InChIInChI=1S/C20H19ClN2O4S/c1-3-10-27-14-9-8-12(11-15(14)26-2)19(24)22-23-20(25)18-17(21)13-6-4-5-7-16(13)28-18/h4-9,11H,3,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySXNWDRRTKKEELZ-UHFFFAOYSA-N
MW418.90 g/mol
LogP4.43
Rot. Bonds6

About 3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide

3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide (PubChem CID 43004085) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide
PubChem CID43004085
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1OC
InChIInChI=1S/C20H19ClN2O4S/c1-3-10-27-14-9-8-12(11-15(14)26-2)19(24)22-23-20(25)18-17(21)13-6-4-5-7-16(13)28-18/h4-9,11H,3,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySXNWDRRTKKEELZ-UHFFFAOYSA-N
XLogP4.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 71656771
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 2564536
N-[4-[[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 71657141
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-(3-methoxy-4-propoxybenzoyl)-2-methyl-1H-indole-3-carbohydrazide
CID 26784395
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
O-propyl N-(3-chloro-1-benzothiophene-2-carbonyl)carbamothioate
CID 2227579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide (CID 43004085) is 3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1OC.
What is the InChIKey of 3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide?
The InChIKey is SXNWDRRTKKEELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-3-10-27-14-9-8-12(11-15(14)26-2)19(24)22-23-20(25)18-17(21)13-6-4-5-7-16(13)28-18/h4-9,11H,3,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide?
3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide has a molecular weight of 418.90 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 43004085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).