N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide

C17H26N2O3S — CID 110346023

IUPACN-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C17H26N2O3S/c20-17(11-10-16-8-4-3-5-9-16)18-12-15-23(21,22)19-13-6-1-2-7-14-19/h3-5,8-9H,1-2,6-7,10-15H2,(H,18,20)
InChIKeyDNNXKBVRJVAUAV-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.94
Rot. Bonds7

About N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide

N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide (PubChem CID 110346023) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
PubChem CID110346023
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C17H26N2O3S/c20-17(11-10-16-8-4-3-5-9-16)18-12-15-23(21,22)19-13-6-1-2-7-14-19/h3-5,8-9H,1-2,6-7,10-15H2,(H,18,20)
InChIKeyDNNXKBVRJVAUAV-UHFFFAOYSA-N
XLogP1.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342521
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
5-(4-methoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306644
N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342653
3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42440229
4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
CID 25285439
3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide
CID 110343189
N-(2-benzylsulfanylethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27861128
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
CID 110346050
4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide
CID 110306646
N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342622

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide (CID 110346023) is N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide?
The InChIKey is DNNXKBVRJVAUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c20-17(11-10-16-8-4-3-5-9-16)18-12-15-23(21,22)19-13-6-1-2-7-14-19/h3-5,8-9H,1-2,6-7,10-15H2,(H,18,20).
What are the key properties of N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide?
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide has a molecular weight of 338.47 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 110346023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).