N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide

C16H25N3O3S — CID 27125327

IUPACN-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
SMILESCCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-3-17-16(20)13-18-9-4-10-19(12-11-18)23(21,22)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,17,20)
InChIKeyIDUSOFRWZRCRNJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.83
Rot. Bonds5

About N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide

N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide (PubChem CID 27125327) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
PubChem CID27125327
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
SMILESCCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-3-17-16(20)13-18-9-4-10-19(12-11-18)23(21,22)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,17,20)
InChIKeyIDUSOFRWZRCRNJ-UHFFFAOYSA-N
XLogP0.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide 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

N-ethyl-2-[4-(3-fluoro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 60539728
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 42000751
N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
CID 8687545
N-(2-amino-2-ethylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 119641093
N-[2-(methylamino)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide;dihydrochloride
CID 119501378
4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]butanoic acid
CID 119352613
N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8692203
2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 17423043
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
CID 8692331
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide (CID 27125327) is N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide is CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide?
The InChIKey is IDUSOFRWZRCRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-17-16(20)13-18-9-4-10-19(12-11-18)23(21,22)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide?
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 27125327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).