(2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide

C20H22N4O4S2 — CID 40938596

IUPAC(2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOCCN(Cc1nnc(-c2cccs2)o1)C(=O)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C20H22N4O4S2/c1-27-10-9-23(13-17-21-22-18(28-17)15-6-3-11-29-15)19(25)14-5-2-8-24(14)20(26)16-7-4-12-30-16/h3-4,6-7,11-12,14H,2,5,8-10,13H2,1H3/t14-/m1/s1
InChIKeyDJFXYQHVHRZFAK-CQSZACIVSA-N
MW446.55 g/mol
LogP3.14
Rot. Bonds8

About (2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide

(2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 40938596) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID40938596
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC Name(2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOCCN(Cc1nnc(-c2cccs2)o1)C(=O)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C20H22N4O4S2/c1-27-10-9-23(13-17-21-22-18(28-17)15-6-3-11-29-15)19(25)14-5-2-8-24(14)20(26)16-7-4-12-30-16/h3-4,6-7,11-12,14H,2,5,8-10,13H2,1H3/t14-/m1/s1
InChIKeyDJFXYQHVHRZFAK-CQSZACIVSA-N
XLogP3.14
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8711077
3-ethyl-1-(2-methoxyethyl)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiourea
CID 8678585
N-benzyl-N-(2-hydroxyethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78855278
4-ethoxy-3-methoxy-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 52895534
3-benzyl-1-(2-methoxyethyl)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiourea
CID 8678589
1-ethyl-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzotriazole-5-carboxamide
CID 9462932
2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119172478
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41209831
2-(2-methylmorpholin-4-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 134055238
2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 54945171
(2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide
CID 9375100
7-[[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9375057

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide (CID 40938596) is (2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide is COCCN(Cc1nnc(-c2cccs2)o1)C(=O)[C@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is DJFXYQHVHRZFAK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-27-10-9-23(13-17-21-22-18(28-17)15-6-3-11-29-15)19(25)14-5-2-8-24(14)20(26)16-7-4-12-30-16/h3-4,6-7,11-12,14H,2,5,8-10,13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide?
(2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 40938596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).