N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

C20H24N2O3S2 — CID 39625765

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C20H24N2O3S2/c23-19(21-13-12-16-5-2-1-3-6-16)15-17-8-10-18(11-9-17)22-27(24,25)20-7-4-14-26-20/h4-5,7-11,14,22H,1-3,6,12-13,15H2,(H,21,23)
InChIKeyBBSKBVYVTYBJHD-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.10
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 39625765) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID39625765
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C20H24N2O3S2/c23-19(21-13-12-16-5-2-1-3-6-16)15-17-8-10-18(11-9-17)22-27(24,25)20-7-4-14-26-20/h4-5,7-11,14,22H,1-3,6,12-13,15H2,(H,21,23)
InChIKeyBBSKBVYVTYBJHD-UHFFFAOYSA-N
XLogP4.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2463276
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55569595
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 56786800
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786990
N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55656034
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55693970
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (CID 39625765) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is BBSKBVYVTYBJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c23-19(21-13-12-16-5-2-1-3-6-16)15-17-8-10-18(11-9-17)22-27(24,25)20-7-4-14-26-20/h4-5,7-11,14,22H,1-3,6,12-13,15H2,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 404.56 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 39625765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).