N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide

C22H36N2O3S — CID 55446349

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
SMILESCCN(C(=O)CNC(c1ccc(CC(C)C)cc1)C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H36N2O3S/c1-6-24(20-11-12-28(26,27)15-20)21(25)14-23-22(17(4)5)19-9-7-18(8-10-19)13-16(2)3/h7-10,16-17,20,22-23H,6,11-15H2,1-5H3
InChIKeyHUGMVMKQQQSBLD-UHFFFAOYSA-N
MW408.61 g/mol
LogP3.21
Rot. Bonds9

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide (PubChem CID 55446349) has the molecular formula C22H36N2O3S and a molecular weight of 408.61 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
PubChem CID55446349
Molecular FormulaC22H36N2O3S
Molecular Weight408.61 g/mol
Exact Mass408.24
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
SMILESCCN(C(=O)CNC(c1ccc(CC(C)C)cc1)C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H36N2O3S/c1-6-24(20-11-12-28(26,27)15-20)21(25)14-23-22(17(4)5)19-9-7-18(8-10-19)13-16(2)3/h7-10,16-17,20,22-23H,6,11-15H2,1-5H3
InChIKeyHUGMVMKQQQSBLD-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide with MolForge

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Related Compounds

2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 60568322
N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 55395330
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-fluorophenyl)butanamide
CID 110316535
N-(1,1-dioxothiolan-3-yl)-2-[1-(4-ethylphenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112801120
2-chloro-N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]benzamide
CID 112994270
N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 112994246
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001150
N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide
CID 110355785
N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945732
N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 112994249
3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide
CID 134011457
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-ethylphenyl)-4-oxobutanamide
CID 134028550

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide (CID 55446349) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide is CCN(C(=O)CNC(c1ccc(CC(C)C)cc1)C(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide?
The InChIKey is HUGMVMKQQQSBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3S/c1-6-24(20-11-12-28(26,27)15-20)21(25)14-23-22(17(4)5)19-9-7-18(8-10-19)13-16(2)3/h7-10,16-17,20,22-23H,6,11-15H2,1-5H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide has a molecular weight of 408.61 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide is sourced from PubChem (CID 55446349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).