N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide

C19H29NO3S — CID 55395330

IUPACN-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(CC(C)C)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H29NO3S/c1-4-10-20(18-9-11-24(22,23)14-18)19(21)13-17-7-5-16(6-8-17)12-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyFMEIBMIAGQUXGG-UHFFFAOYSA-N
MW351.51 g/mol
LogP2.85
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide

N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide (PubChem CID 55395330) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
PubChem CID55395330
Molecular FormulaC19H29NO3S
Molecular Weight351.51 g/mol
Exact Mass351.19
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(CC(C)C)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H29NO3S/c1-4-10-20(18-9-11-24(22,23)14-18)19(21)13-17-7-5-16(6-8-17)12-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyFMEIBMIAGQUXGG-UHFFFAOYSA-N
XLogP2.85
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxyphenyl)-N-propylacetamide
CID 78789041
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 55446349
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenyl)sulfanyl-N-propylacetamide
CID 78789039
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
methyl 3-[[(3R)-1,1-dioxothiolan-3-yl]-[2-(4-methoxyphenyl)acetyl]amino]propanoate
CID 39884758
methyl 3-[[2-(4-chlorophenyl)acetyl]-[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 39884789
N-(1,1-dioxothiolan-3-yl)-2-(2-nitrophenyl)-N-propylacetamide
CID 78789212
4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride
CID 120559052
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
CID 40625096

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide (CID 55395330) is N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide is CCCN(C(=O)Cc1ccc(CC(C)C)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide?
The InChIKey is FMEIBMIAGQUXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3S/c1-4-10-20(18-9-11-24(22,23)14-18)19(21)13-17-7-5-16(6-8-17)12-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide has a molecular weight of 351.51 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[4-(2-methylpropyl)phenyl]-N-propylacetamide is sourced from PubChem (CID 55395330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).