(5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate

C20H24ClN3O4S2 — CID 70893727

IUPAC(5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCOC[C@@H]1C[C@@H](NC(=O)Oc2ccc(Cl)s2)CN1C(=O)c1cc2c(s1)CN(C)CC2
InChIInChI=1S/C20H24ClN3O4S2/c1-23-6-5-12-7-15(29-16(12)10-23)19(25)24-9-13(8-14(24)11-27-2)22-20(26)28-18-4-3-17(21)30-18/h3-4,7,13-14H,5-6,8-11H2,1-2H3,(H,22,26)/t13-,14+/m1/s1
InChIKeyFRIUKPXMCORGNE-KGLIPLIRSA-N
MW470.02 g/mol
LogP3.47
Rot. Bonds5

About (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate

(5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 70893727) has the molecular formula C20H24ClN3O4S2 and a molecular weight of 470.02 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID70893727
Molecular FormulaC20H24ClN3O4S2
Molecular Weight470.02 g/mol
Exact Mass469.09
IUPAC Name(5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCOC[C@@H]1C[C@@H](NC(=O)Oc2ccc(Cl)s2)CN1C(=O)c1cc2c(s1)CN(C)CC2
InChIInChI=1S/C20H24ClN3O4S2/c1-23-6-5-12-7-15(29-16(12)10-23)19(25)24-9-13(8-14(24)11-27-2)22-20(26)28-18-4-3-17(21)30-18/h3-4,7,13-14H,5-6,8-11H2,1-2H3,(H,22,26)/t13-,14+/m1/s1
InChIKeyFRIUKPXMCORGNE-KGLIPLIRSA-N
XLogP3.47
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate (CID 70893727) is (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate is COC[C@@H]1C[C@@H](NC(=O)Oc2ccc(Cl)s2)CN1C(=O)c1cc2c(s1)CN(C)CC2.
What is the InChIKey of (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is FRIUKPXMCORGNE-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H24ClN3O4S2/c1-23-6-5-12-7-15(29-16(12)10-23)19(25)24-9-13(8-14(24)11-27-2)22-20(26)28-18-4-3-17(21)30-18/h3-4,7,13-14H,5-6,8-11H2,1-2H3,(H,22,26)/t13-,14+/m1/s1.
What are the key properties of (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate?
(5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 470.02 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl) N-[(3R,5S)-5-(methoxymethyl)-1-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 70893727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).