N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide

C19H23N3O6S — CID 9476438

IUPACN'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccco2)cc1S(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C19H23N3O6S/c1-13-6-3-4-10-22(13)29(25,26)17-12-14(8-9-15(17)27-2)18(23)20-21-19(24)16-7-5-11-28-16/h5,7-9,11-13H,3-4,6,10H2,1-2H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyQGPASJJFWOFDDX-ZDUSSCGKSA-N
MW421.48 g/mol
LogP1.93
Rot. Bonds5

About N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide

N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide (PubChem CID 9476438) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide
PubChem CID9476438
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC NameN'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccco2)cc1S(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C19H23N3O6S/c1-13-6-3-4-10-22(13)29(25,26)17-12-14(8-9-15(17)27-2)18(23)20-21-19(24)16-7-5-11-28-16/h5,7-9,11-13H,3-4,6,10H2,1-2H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyQGPASJJFWOFDDX-ZDUSSCGKSA-N
XLogP1.93
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.93
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

N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-[(3-chlorophenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55345724
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4799810
(2-methoxyphenyl) 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 8778455
phenyl 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7984818
[1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469718
methyl (2S)-4-[4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 51730221

Frequently Asked Questions

What is the IUPAC name of N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide (CID 9476438) is N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccco2)cc1S(=O)(=O)N1CCCC[C@@H]1C.
What is the InChIKey of N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide?
The InChIKey is QGPASJJFWOFDDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-13-6-3-4-10-22(13)29(25,26)17-12-14(8-9-15(17)27-2)18(23)20-21-19(24)16-7-5-11-28-16/h5,7-9,11-13H,3-4,6,10H2,1-2H3,(H,20,23)(H,21,24)/t13-/m0/s1.
What are the key properties of N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide?
N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide has a molecular weight of 421.48 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]furan-2-carbohydrazide is sourced from PubChem (CID 9476438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).