N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide

C20H22FN3O3S — CID 3211169

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CN(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C20H22FN3O3S/c21-14-7-9-16(10-8-14)24(13-18(25)23-15-4-1-2-5-15)19(26)12-22-20(27)17-6-3-11-28-17/h3,6-11,15H,1-2,4-5,12-13H2,(H,22,27)(H,23,25)
InChIKeyAGVBCPYPBULYKR-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211169) 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]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211169
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CN(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C20H22FN3O3S/c21-14-7-9-16(10-8-14)24(13-18(25)23-15-4-1-2-5-15)19(26)12-22-20(27)17-6-3-11-28-17/h3,6-11,15H,1-2,4-5,12-13H2,(H,22,27)(H,23,25)
InChIKeyAGVBCPYPBULYKR-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211169) is N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CN(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is AGVBCPYPBULYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c21-14-7-9-16(10-8-14)24(13-18(25)23-15-4-1-2-5-15)19(26)12-22-20(27)17-6-3-11-28-17/h3,6-11,15H,1-2,4-5,12-13H2,(H,22,27)(H,23,25).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxoethyl]-4-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]-4-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).