2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide

C18H21N3O5S — CID 4782675

IUPAC2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)o1
InChIInChI=1S/C18H21N3O5S/c1-12-10-16(13(2)26-12)18(23)20-19-17(22)14-6-5-7-15(11-14)27(24,25)21-8-3-4-9-21/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyRLZWVYXIDHGBHL-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.76
Rot. Bonds4

About 2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide

2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide (PubChem CID 4782675) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide
PubChem CID4782675
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)o1
InChIInChI=1S/C18H21N3O5S/c1-12-10-16(13(2)26-12)18(23)20-19-17(22)14-6-5-7-15(11-14)27(24,25)21-8-3-4-9-21/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyRLZWVYXIDHGBHL-UHFFFAOYSA-N
XLogP1.76
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.76
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

N'-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 55597383
2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 30862218
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668824
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
5-methyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 55929633
N'-[2-(4-methylphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29205480
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
3-(azepan-1-ylsulfonyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043422
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide (CID 4782675) is 2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide?
The InChIKey is RLZWVYXIDHGBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-12-10-16(13(2)26-12)18(23)20-19-17(22)14-6-5-7-15(11-14)27(24,25)21-8-3-4-9-21/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide?
2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide has a molecular weight of 391.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide is sourced from PubChem (CID 4782675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).