(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide

C18H20N2O3S — CID 124567707

IUPAC(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(Sc2ccc(NC(=O)N3CC[C@H](O)C3)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-23-15-4-8-17(9-5-15)24-16-6-2-13(3-7-16)19-18(22)20-11-10-14(21)12-20/h2-9,14,21H,10-12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyNUGSSABDYRMKGO-AWEZNQCLSA-N
MW344.44 g/mol
LogP3.44
Rot. Bonds4

About (3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide

(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide (PubChem CID 124567707) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
PubChem CID124567707
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(Sc2ccc(NC(=O)N3CC[C@H](O)C3)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-23-15-4-8-17(9-5-15)24-16-6-2-13(3-7-16)19-18(22)20-11-10-14(21)12-20/h2-9,14,21H,10-12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyNUGSSABDYRMKGO-AWEZNQCLSA-N
XLogP3.44
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(4-methoxyphenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079306
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 79029321
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 124855487
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 75502896
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide (CID 124567707) is (3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide is COc1ccc(Sc2ccc(NC(=O)N3CC[C@H](O)C3)cc2)cc1.
What is the InChIKey of (3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is NUGSSABDYRMKGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-15-4-8-17(9-5-15)24-16-6-2-13(3-7-16)19-18(22)20-11-10-14(21)12-20/h2-9,14,21H,10-12H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide?
(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124567707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).