N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide

C18H23N3O4S — CID 131918040

IUPACN-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)N1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H23N3O4S/c1-19(15-16-7-3-2-4-8-16)26(23,24)21-11-6-10-20(12-13-21)18(22)17-9-5-14-25-17/h2-5,7-9,14H,6,10-13,15H2,1H3
InChIKeyFYFRCZQLKPTBKT-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.80
Rot. Bonds5

About N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide

N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide (PubChem CID 131918040) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide
PubChem CID131918040
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)N1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H23N3O4S/c1-19(15-16-7-3-2-4-8-16)26(23,24)21-11-6-10-20(12-13-21)18(22)17-9-5-14-25-17/h2-5,7-9,14H,6,10-13,15H2,1H3
InChIKeyFYFRCZQLKPTBKT-UHFFFAOYSA-N
XLogP1.80
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
furan-2-yl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110798091
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110798086
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 26495597
N-[2-[benzyl(methyl)amino]ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167108
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110807785
N,N-dimethyl-4-(2-methylbenzoyl)-1,4-diazepane-1-sulfonamide
CID 110798257
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide (CID 131918040) is N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)N1CCCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide?
The InChIKey is FYFRCZQLKPTBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-19(15-16-7-3-2-4-8-16)26(23,24)21-11-6-10-20(12-13-21)18(22)17-9-5-14-25-17/h2-5,7-9,14H,6,10-13,15H2,1H3.
What are the key properties of N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide?
N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 131918040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).