1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide

C21H26N2O3S — CID 100780604

IUPAC1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(OC2CSC2)cc1)C1(C2(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C21H26N2O3S/c24-18(22-15-3-5-16(6-4-15)26-17-13-27-14-17)20(7-8-20)21(9-10-21)19(25)23-11-1-2-12-23/h3-6,17H,1-2,7-14H2,(H,22,24)
InChIKeyZDYABJHRHFIOTK-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.30
Rot. Bonds6

About 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide

1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 100780604) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide
PubChem CID100780604
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(OC2CSC2)cc1)C1(C2(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C21H26N2O3S/c24-18(22-15-3-5-16(6-4-15)26-17-13-27-14-17)20(7-8-20)21(9-10-21)19(25)23-11-1-2-12-23/h3-6,17H,1-2,7-14H2,(H,22,24)
InChIKeyZDYABJHRHFIOTK-UHFFFAOYSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
CID 100780619
8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100779251
1-phenyl-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
CID 100781195
N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide
CID 100780625
1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
CID 100781332
6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide
CID 133230237
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
4-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]oxane-4-carboxamide
CID 100781359
1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 108980460
(1R,5S)-2,2-dioxo-3-phenyl-N-[4-(thietan-3-yloxy)phenyl]-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125063072
1-amino-N-(4-cyclopentyloxyphenyl)cyclohexane-1-carboxamide
CID 119284690
(1S,5S)-3-benzyl-2,2-dioxo-N-[4-(thietan-3-yloxy)phenyl]-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125063176

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide (CID 100780604) is 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(OC2CSC2)cc1)C1(C2(C(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZDYABJHRHFIOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-18(22-15-3-5-16(6-4-15)26-17-13-27-14-17)20(7-8-20)21(9-10-21)19(25)23-11-1-2-12-23/h3-6,17H,1-2,7-14H2,(H,22,24).
What are the key properties of 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide?
1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 100780604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).