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

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

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

Launch Full Analysis

Related Compounds

N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 71898998
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477
N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 34335922
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
CID 27861002
5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24621446

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).