N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide

C17H26N2OS — CID 16931542

IUPACN-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)C1CCCCC1
InChIInChI=1S/C17H26N2OS/c20-17(14-6-2-1-3-7-14)18-12-16(15-8-11-21-13-15)19-9-4-5-10-19/h8,11,13-14,16H,1-7,9-10,12H2,(H,18,20)
InChIKeyINHVVFZQTMEJMD-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.58
Rot. Bonds5

About N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide

N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide (PubChem CID 16931542) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide
PubChem CID16931542
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)C1CCCCC1
InChIInChI=1S/C17H26N2OS/c20-17(14-6-2-1-3-7-14)18-12-16(15-8-11-21-13-15)19-9-4-5-10-19/h8,11,13-14,16H,1-7,9-10,12H2,(H,18,20)
InChIKeyINHVVFZQTMEJMD-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide
CID 51620596
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)cyclopropanecarboxamide
CID 16931690
N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848564
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)pentanamide
CID 16931235
N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932254
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide (CID 16931542) is N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide is O=C(NCC(c1ccsc1)N1CCCC1)C1CCCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide?
The InChIKey is INHVVFZQTMEJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c20-17(14-6-2-1-3-7-14)18-12-16(15-8-11-21-13-15)19-9-4-5-10-19/h8,11,13-14,16H,1-7,9-10,12H2,(H,18,20).
What are the key properties of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide?
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide has a molecular weight of 306.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 16931542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).