N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide

C20H22FN3O3S — CID 3211158

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CN(C(=O)CNC(=O)c1cccs1)c1ccccc1F)NC1CCCC1
InChIInChI=1S/C20H22FN3O3S/c21-15-8-3-4-9-16(15)24(13-18(25)23-14-6-1-2-7-14)19(26)12-22-20(27)17-10-5-11-28-17/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,22,27)(H,23,25)
InChIKeyAOZYTBRTLQNLJB-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211158) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211158
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CN(C(=O)CNC(=O)c1cccs1)c1ccccc1F)NC1CCCC1
InChIInChI=1S/C20H22FN3O3S/c21-15-8-3-4-9-16(15)24(13-18(25)23-14-6-1-2-7-14)19(26)12-22-20(27)17-10-5-11-28-17/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,22,27)(H,23,25)
InChIKeyAOZYTBRTLQNLJB-UHFFFAOYSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42628060
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-4-fluoro-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-YL)-phenylcarbamoyl]-methyl}-pyrrolidin-3-YL)-amide
CID 42628063
N-(2,4-Difluorophenyl)-2-thiophenecarboxamide
CID 762625
N-(4-Fluorophenyl)-2-thiophenecarboxamide
CID 531923
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
2-Thiophenecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
CID 213545
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 17413594
1-{5-[(3-Anilino-1-piperidinyl)carbonyl]-2-thienyl}ethanone
CID 24791777

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211158) is N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CN(C(=O)CNC(=O)c1cccs1)c1ccccc1F)NC1CCCC1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is AOZYTBRTLQNLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c21-15-8-3-4-9-16(15)24(13-18(25)23-14-6-1-2-7-14)19(26)12-22-20(27)17-10-5-11-28-17/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,22,27)(H,23,25).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-2-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).