N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide

C15H18N2OS2 — CID 40847538

IUPACN-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](c1ccsc1)N1CCCC1)c1cccs1
InChIInChI=1S/C15H18N2OS2/c18-15(14-4-3-8-20-14)16-10-13(12-5-9-19-11-12)17-6-1-2-7-17/h3-5,8-9,11,13H,1-2,6-7,10H2,(H,16,18)/t13-/m1/s1
InChIKeyWKAMNBICNJMVCR-CYBMUJFWSA-N
MW306.46 g/mol
LogP3.38
Rot. Bonds5

About N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide

N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide (PubChem CID 40847538) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
PubChem CID40847538
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](c1ccsc1)N1CCCC1)c1cccs1
InChIInChI=1S/C15H18N2OS2/c18-15(14-4-3-8-20-14)16-10-13(12-5-9-19-11-12)17-6-1-2-7-17/h3-5,8-9,11,13H,1-2,6-7,10H2,(H,16,18)/t13-/m1/s1
InChIKeyWKAMNBICNJMVCR-CYBMUJFWSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 16931706
N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 35181299
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 35041782
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)furan-2-carboxamide
CID 16931568
N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 40848684
N'-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 16932556
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide
CID 100690877
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide (CID 40847538) is N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide is O=C(NC[C@H](c1ccsc1)N1CCCC1)c1cccs1.
What is the InChIKey of N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The InChIKey is WKAMNBICNJMVCR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2OS2/c18-15(14-4-3-8-20-14)16-10-13(12-5-9-19-11-12)17-6-1-2-7-17/h3-5,8-9,11,13H,1-2,6-7,10H2,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide has a molecular weight of 306.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 40847538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).