2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide

C19H28N2O3S — CID 3955378

IUPAC2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(C(C)C)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C19H28N2O3S/c1-13(2)15-6-8-17(9-7-15)25-12-18(21-14(3)22)19(23)20-11-16-5-4-10-24-16/h6-9,13,16,18H,4-5,10-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeySQGVXYUCZXQEJL-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.70
Rot. Bonds8

About 2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide

2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide (PubChem CID 3955378) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide
PubChem CID3955378
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(C(C)C)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C19H28N2O3S/c1-13(2)15-6-8-17(9-7-15)25-12-18(21-14(3)22)19(23)20-11-16-5-4-10-24-16/h6-9,13,16,18H,4-5,10-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeySQGVXYUCZXQEJL-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(3-bromophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 4267476
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
CID 110316787
2-acetamido-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 64583484
5-(oxolan-2-ylmethylcarbamoyl)-3-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid
CID 11958599
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(3S)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7318082
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 99950366
2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110771074
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide (CID 3955378) is 2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide is CC(=O)NC(CSc1ccc(C(C)C)cc1)C(=O)NCC1CCCO1.
What is the InChIKey of 2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide?
The InChIKey is SQGVXYUCZXQEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-13(2)15-6-8-17(9-7-15)25-12-18(21-14(3)22)19(23)20-11-16-5-4-10-24-16/h6-9,13,16,18H,4-5,10-12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide?
2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide has a molecular weight of 364.51 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide is sourced from PubChem (CID 3955378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).