N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C19H29N3O5S2 — CID 55642193

IUPACN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H29N3O5S2/c23-19(18-17(4-12-28-18)29(24,25)22-5-1-2-6-22)20-13-16(15-3-9-27-14-15)21-7-10-26-11-8-21/h4,12,15-16H,1-3,5-11,13-14H2,(H,20,23)
InChIKeyWMNYOGWYBZZYGP-UHFFFAOYSA-N
MW443.59 g/mol
LogP1.00
Rot. Bonds7

About N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 55642193) has the molecular formula C19H29N3O5S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID55642193
Molecular FormulaC19H29N3O5S2
Molecular Weight443.59 g/mol
Exact Mass443.15
IUPAC NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H29N3O5S2/c23-19(18-17(4-12-28-18)29(24,25)22-5-1-2-6-22)20-13-16(15-3-9-27-14-15)21-7-10-26-11-8-21/h4,12,15-16H,1-3,5-11,13-14H2,(H,20,23)
InChIKeyWMNYOGWYBZZYGP-UHFFFAOYSA-N
XLogP1.00
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55602817
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55610163
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642370
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55792498
3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 52909875
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 55590618
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 38075450
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 55642193) is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is O=C(NCC(C1CCOC1)N1CCOCC1)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is WMNYOGWYBZZYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S2/c23-19(18-17(4-12-28-18)29(24,25)22-5-1-2-6-22)20-13-16(15-3-9-27-14-15)21-7-10-26-11-8-21/h4,12,15-16H,1-3,5-11,13-14H2,(H,20,23).
What are the key properties of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 55642193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).