N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide

C18H20ClN3O6S — CID 55792132

IUPACN'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C18H20ClN3O6S/c1-11-16(29(25,26)22-7-3-4-8-22)10-15(28-11)18(24)21-20-17(23)13-6-5-12(19)9-14(13)27-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQHHKBBOHSBOBKF-UHFFFAOYSA-N
MW441.89 g/mol
LogP2.11
Rot. Bonds5

About N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide

N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide (PubChem CID 55792132) has the molecular formula C18H20ClN3O6S and a molecular weight of 441.89 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide
PubChem CID55792132
Molecular FormulaC18H20ClN3O6S
Molecular Weight441.89 g/mol
Exact Mass441.08
IUPAC NameN'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C18H20ClN3O6S/c1-11-16(29(25,26)22-7-3-4-8-22)10-15(28-11)18(24)21-20-17(23)13-6-5-12(19)9-14(13)27-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQHHKBBOHSBOBKF-UHFFFAOYSA-N
XLogP2.11
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 52.11
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

4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955734
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760762
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760837
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55754658
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
(2S)-2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 119372503
5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883946
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide?
The IUPAC name of N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide (CID 55792132) is N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide?
The canonical SMILES for N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide is COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1.
What is the InChIKey of N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide?
The InChIKey is QHHKBBOHSBOBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O6S/c1-11-16(29(25,26)22-7-3-4-8-22)10-15(28-11)18(24)21-20-17(23)13-6-5-12(19)9-14(13)27-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide?
N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide has a molecular weight of 441.89 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide is sourced from PubChem (CID 55792132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).