[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone

C16H20N2O4S2 — CID 110798086

IUPAC[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone
SMILESCCc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C16H20N2O4S2/c1-2-13-6-7-15(23-13)24(20,21)18-9-4-8-17(10-11-18)16(19)14-5-3-12-22-14/h3,5-7,12H,2,4,8-11H2,1H3
InChIKeyNZVMMKNFKWNTJG-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.44
Rot. Bonds4

About [4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone

[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone (PubChem CID 110798086) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone
PubChem CID110798086
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone
SMILESCCc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C16H20N2O4S2/c1-2-13-6-7-15(23-13)24(20,21)18-9-4-8-17(10-11-18)16(19)14-5-3-12-22-14/h3,5-7,12H,2,4,8-11H2,1H3
InChIKeyNZVMMKNFKWNTJG-UHFFFAOYSA-N
XLogP2.44
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110645794
1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110364906
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide
CID 131918040
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 2971243
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
furan-2-yl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110798091
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
CID 108544713
6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 20901033

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone (CID 110798086) is [4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone is CCc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccco3)CC2)s1.
What is the InChIKey of [4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The InChIKey is NZVMMKNFKWNTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-2-13-6-7-15(23-13)24(20,21)18-9-4-8-17(10-11-18)16(19)14-5-3-12-22-14/h3,5-7,12H,2,4,8-11H2,1H3.
What are the key properties of [4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 110798086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).