5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C24H28ClF3N4O2S — CID 171424576

IUPAC5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(Nc1cc(Cl)cnc1C(F)(F)F)c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1
InChIInChI=1S/C24H28ClF3N4O2S/c1-13(30-17-11-15(25)12-29-21(17)24(26,27)28)19-8-9-20(35-19)23(34)32-18(10-14-4-2-3-5-14)22(33)31-16-6-7-16/h8-9,11-14,16,18,30H,2-7,10H2,1H3,(H,31,33)(H,32,34)/t13?,18-/m0/s1
InChIKeyDLPOXHDEZLHZHQ-UWBLVGDVSA-N
MW529.03 g/mol
LogP5.95
Rot. Bonds9

About 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 171424576) has the molecular formula C24H28ClF3N4O2S and a molecular weight of 529.03 g/mol. Its IUPAC name is 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID171424576
Molecular FormulaC24H28ClF3N4O2S
Molecular Weight529.03 g/mol
Exact Mass528.16
IUPAC Name5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(Nc1cc(Cl)cnc1C(F)(F)F)c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1
InChIInChI=1S/C24H28ClF3N4O2S/c1-13(30-17-11-15(25)12-29-21(17)24(26,27)28)19-8-9-20(35-19)23(34)32-18(10-14-4-2-3-5-14)22(33)31-16-6-7-16/h8-9,11-14,16,18,30H,2-7,10H2,1H3,(H,31,33)(H,32,34)/t13?,18-/m0/s1
InChIKeyDLPOXHDEZLHZHQ-UWBLVGDVSA-N
XLogP5.95
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.03
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 171424576) is 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(Nc1cc(Cl)cnc1C(F)(F)F)c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1.
What is the InChIKey of 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is DLPOXHDEZLHZHQ-UWBLVGDVSA-N. The full InChI is InChI=1S/C24H28ClF3N4O2S/c1-13(30-17-11-15(25)12-29-21(17)24(26,27)28)19-8-9-20(35-19)23(34)32-18(10-14-4-2-3-5-14)22(33)31-16-6-7-16/h8-9,11-14,16,18,30H,2-7,10H2,1H3,(H,31,33)(H,32,34)/t13?,18-/m0/s1.
What are the key properties of 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 529.03 g/mol, XLogP of 5.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 171424576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).