2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C16H23ClN2O3S — CID 51929396

IUPAC2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(C)[C@@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-11(2)16(12-3-5-13(17)6-4-12)18-9-15(20)19-14-7-8-23(21,22)10-14/h3-6,11,14,16,18H,7-10H2,1-2H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyJFGHDVGFXKMZGX-GOEBONIOSA-N
MW358.89 g/mol
LogP1.93
Rot. Bonds6

About 2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 51929396) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID51929396
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(C)[C@@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-11(2)16(12-3-5-13(17)6-4-12)18-9-15(20)19-14-7-8-23(21,22)10-14/h3-6,11,14,16,18H,7-10H2,1-2H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyJFGHDVGFXKMZGX-GOEBONIOSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133279
3-(4-chlorophenyl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-methylpropanamide
CID 110615275
N-[1-(4-chlorophenyl)-2-methylpropyl]-1,1-dioxothian-4-amine
CID 43687632
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259878
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide
CID 110296620
2-(4-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 51073679
2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171522
(3R)-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-(tetrazol-1-yl)butanamide
CID 97266708
3-[(4-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109021800
(2R)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 94934408
2-[(4-chlorophenyl)carbamoyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51961751

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 51929396) is 2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is CC(C)[C@@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is JFGHDVGFXKMZGX-GOEBONIOSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-11(2)16(12-3-5-13(17)6-4-12)18-9-15(20)19-14-7-8-23(21,22)10-14/h3-6,11,14,16,18H,7-10H2,1-2H3,(H,19,20)/t14-,16+/m0/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 358.89 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 51929396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).