N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide

C16H24N2O2S — CID 46983124

IUPACN'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide
SMILESCc1ccsc1CCNC(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-12-9-11-21-14(12)8-10-17-15(19)6-7-16(20)18-13-4-2-3-5-13/h9,11,13H,2-8,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyNRAXUAHZNGMVPB-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.55
Rot. Bonds7

About N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide

N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide (PubChem CID 46983124) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide
PubChem CID46983124
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide
SMILESCc1ccsc1CCNC(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-12-9-11-21-14(12)8-10-17-15(19)6-7-16(20)18-13-4-2-3-5-13/h9,11,13H,2-8,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyNRAXUAHZNGMVPB-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-cyclopentyl-1-[(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3438532
(5Z,8Z,11Z,14Z)-N-(1-thiophen-2-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
CID 10928080
Icosa-5,8,11,14-tetraenoic acid (2-thiophen-2-yl-ethyl)-amide
CID 10949701
Icosa-5,8,11,14-tetraenoic acid (2-thiophen-3-yl-ethyl)-amide
CID 11090957
(5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
CID 11102012
(S)-2-amino-N-((S)-1-amino-1-oxo-3-(thiophen-2-yl)propan-2-yl)-3-phenylpropanamide
CID 45379601
N-cyclopentyl-2-(2-thienyl)acetamide
CID 669859
N~2~-acetyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3240904
N-ethyl-1-(2-thiophen-2-ylacetyl)azepane-4-carboxamide
CID 49795307
N-(ethylpropyl)-2-(2-thienyl)acetamide
CID 670789
2,2,5,5-tetramethyl-N-[3-[(2-thiophen-2-ylacetyl)amino]propyl]-1H-pyrrole-3-carboxamide
CID 14306910

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide?
The IUPAC name of N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide (CID 46983124) is N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide is Cc1ccsc1CCNC(=O)CCC(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide?
The InChIKey is NRAXUAHZNGMVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-9-11-21-14(12)8-10-17-15(19)6-7-16(20)18-13-4-2-3-5-13/h9,11,13H,2-8,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide?
N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide has a molecular weight of 308.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanediamide is sourced from PubChem (CID 46983124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).