N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide

C19H29N3O3S — CID 113156112

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide
SMILESCN(C)c1ccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H29N3O3S/c1-21(2)17-9-11-18(12-10-17)22(26(3,24)25)15-19(23)20-14-13-16-7-5-4-6-8-16/h7,9-12H,4-6,8,13-15H2,1-3H3,(H,20,23)
InChIKeyWZHGFABZQHMHJC-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.53
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide (PubChem CID 113156112) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide
PubChem CID113156112
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide
SMILESCN(C)c1ccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H29N3O3S/c1-21(2)17-9-11-18(12-10-17)22(26(3,24)25)15-19(23)20-14-13-16-7-5-4-6-8-16/h7,9-12H,4-6,8,13-15H2,1-3H3,(H,20,23)
InChIKeyWZHGFABZQHMHJC-UHFFFAOYSA-N
XLogP2.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786990
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 2175357
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128323
N-[2-(cyclohexen-1-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951577
N'-[2-(cyclohexen-1-yl)ethyl]-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16891997
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113144180
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide
CID 113156119
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 126415843
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113149104
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-prop-2-enylacetamide
CID 113156103
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2176255
3-(3-acetyl-N-methylsulfonylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113145310

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide (CID 113156112) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide is CN(C)c1ccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide?
The InChIKey is WZHGFABZQHMHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-21(2)17-9-11-18(12-10-17)22(26(3,24)25)15-19(23)20-14-13-16-7-5-4-6-8-16/h7,9-12H,4-6,8,13-15H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide has a molecular weight of 379.53 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 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-(dimethylamino)-N-methylsulfonylanilino]acetamide is sourced from PubChem (CID 113156112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).