(2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide

C18H25N3O3S — CID 69241471

IUPAC(2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCO[C@H](C(=O)NCC1CNC(C(=O)N2CCSC2)C1)c1ccccc1
InChIInChI=1S/C18H25N3O3S/c1-24-16(14-5-3-2-4-6-14)17(22)20-11-13-9-15(19-10-13)18(23)21-7-8-25-12-21/h2-6,13,15-16,19H,7-12H2,1H3,(H,20,22)/t13?,15?,16-/m0/s1
InChIKeyYPVZIEHOESZNGM-BCLQGDPASA-N
MW363.48 g/mol
LogP1.00
Rot. Bonds6

About (2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide

(2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 69241471) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID69241471
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name(2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCO[C@H](C(=O)NCC1CNC(C(=O)N2CCSC2)C1)c1ccccc1
InChIInChI=1S/C18H25N3O3S/c1-24-16(14-5-3-2-4-6-14)17(22)20-11-13-9-15(19-10-13)18(23)21-7-8-25-12-21/h2-6,13,15-16,19H,7-12H2,1H3,(H,20,22)/t13?,15?,16-/m0/s1
InChIKeyYPVZIEHOESZNGM-BCLQGDPASA-N
XLogP1.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 59681850
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11659739
phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 69240790
1-(2-methoxyphenyl)-3-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]urea
CID 69240965
2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241258
2-bromo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241009
4-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242489
4-(phenoxymethyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11604276
2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
CID 69240639
3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
CID 69240971
3-(4-methoxyphenyl)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
CID 69240975
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide
CID 11696157

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of (2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide (CID 69241471) is (2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for (2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for (2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide is CO[C@H](C(=O)NCC1CNC(C(=O)N2CCSC2)C1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is YPVZIEHOESZNGM-BCLQGDPASA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-24-16(14-5-3-2-4-6-14)17(22)20-11-13-9-15(19-10-13)18(23)21-7-8-25-12-21/h2-6,13,15-16,19H,7-12H2,1H3,(H,20,22)/t13?,15?,16-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide?
(2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 363.48 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 69241471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).