N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C20H21N3O2S — CID 71883045

IUPACN-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CCC1
InChIInChI=1S/C20H21N3O2S/c21-14-20(7-4-8-20)22-18(24)17-13-16(15-5-2-1-3-6-15)19(26-17)23-9-11-25-12-10-23/h1-3,5-6,13H,4,7-12H2,(H,22,24)
InChIKeyYVGQQUCGCSXMOX-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.43
Rot. Bonds4

About N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 71883045) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID71883045
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CCC1
InChIInChI=1S/C20H21N3O2S/c21-14-20(7-4-8-20)22-18(24)17-13-16(15-5-2-1-3-6-15)19(26-17)23-9-11-25-12-10-23/h1-3,5-6,13H,4,7-12H2,(H,22,24)
InChIKeyYVGQQUCGCSXMOX-UHFFFAOYSA-N
XLogP3.43
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 71883045) is N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is N#CC1(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CCC1.
What is the InChIKey of N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is YVGQQUCGCSXMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c21-14-20(7-4-8-20)22-18(24)17-13-16(15-5-2-1-3-6-15)19(26-17)23-9-11-25-12-10-23/h1-3,5-6,13H,4,7-12H2,(H,22,24).
What are the key properties of N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 71883045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).