1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane

C17H22N2O2S2 — CID 87027489

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
SMILESCCc1ccc(S(=O)(=O)N2CCCN(c3ccccc3)CC2)s1
InChIInChI=1S/C17H22N2O2S2/c1-2-16-9-10-17(22-16)23(20,21)19-12-6-11-18(13-14-19)15-7-4-3-5-8-15/h3-5,7-10H,2,6,11-14H2,1H3
InChIKeyUOBYUHWBJQCKLP-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.21
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane

1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane (PubChem CID 87027489) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
PubChem CID87027489
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
SMILESCCc1ccc(S(=O)(=O)N2CCCN(c3ccccc3)CC2)s1
InChIInChI=1S/C17H22N2O2S2/c1-2-16-9-10-17(22-16)23(20,21)19-12-6-11-18(13-14-19)15-7-4-3-5-8-15/h3-5,7-10H,2,6,11-14H2,1H3
InChIKeyUOBYUHWBJQCKLP-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
CID 113075282
1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076892
1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110364906
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389169
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333152
[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110798086
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33139402

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane (CID 87027489) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane is CCc1ccc(S(=O)(=O)N2CCCN(c3ccccc3)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane?
The InChIKey is UOBYUHWBJQCKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-2-16-9-10-17(22-16)23(20,21)19-12-6-11-18(13-14-19)15-7-4-3-5-8-15/h3-5,7-10H,2,6,11-14H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane?
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane has a molecular weight of 350.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane is sourced from PubChem (CID 87027489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).