(2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide

C14H18ClNO4S — CID 94006431

IUPAC(2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H18ClNO4S/c1-10(20-13-4-2-3-12(15)7-13)14(17)16-8-11-5-6-21(18,19)9-11/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyPEYHXXIFRYQIEV-GHMZBOCLSA-N
MW331.82 g/mol
LogP1.66
Rot. Bonds5

About (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide

(2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide (PubChem CID 94006431) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
PubChem CID94006431
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H18ClNO4S/c1-10(20-13-4-2-3-12(15)7-13)14(17)16-8-11-5-6-21(18,19)9-11/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyPEYHXXIFRYQIEV-GHMZBOCLSA-N
XLogP1.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 27015562
O-(3-chlorophenyl) N-[(1,1-dioxothiolan-3-yl)methyl]carbamothioate
CID 102566946
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006623
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156867
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 97333341
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
2-(3-aminophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 106591175
1-(3-chlorophenyl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 94006812
1-(3-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 56811496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide (CID 94006431) is (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide is C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide?
The InChIKey is PEYHXXIFRYQIEV-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-10(20-13-4-2-3-12(15)7-13)14(17)16-8-11-5-6-21(18,19)9-11/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide?
(2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide has a molecular weight of 331.82 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide is sourced from PubChem (CID 94006431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).